Publications:

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Rational design and topochemical synthesis of polymorphs of a polymer.

Chemical Science

Athiyarath, Vignesh V; Mathew, Liby Ann LA; Zhao, Yakai Y; Khazeber, Ravichandran R; Ramamurty, Upadrasta U; Sureshan, Kana M KM

Publication Date: 2023-05-17

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PubMed Link: 37206383

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• SC-014-D3SC00053B-s001.pdf

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Syntheses and crystal structures of three salts of 1-(4-nitro-phenyl)-piperazine.

Acta Crystallographica. Section E, Crystallographic Communications

Prasad, Holehundi J Shankara HJS; Devaraju, ; Yathirajan, Hemmige S HS; Akkurt, Mehmet M; Foro, Sabine S; Balerao, Rishik R; Butcher, Ray J RJ

Publication Date: 2023-04-01

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PubMed Link: 37151824

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• e-79-00423.pdf

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Syntheses, crystal structures and Hirshfeld surface analysis of three salts of 1-(4-nitro-phenyl)-piperazine.

Acta Crystallographica. Section E, Crystallographic Communications

Archana, Sreeramapura D SD; Foro, Sabine S; Yathirajan, Hemmige S HS; Kiran Kumar, Haruvegowda H; Balerao, Rishik R; Butcher, Ray J RJ

Publication Date: 2023-03-01

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PubMed Link: 37057010

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• e-79-00373.pdf

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Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.

Chemical Science

Reichl, Stephan S; Balázs, Gábor G; Scheer, Manfred M

Publication Date: 2023-04-05

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PubMed Link: 37035692

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• SC-014-D3SC00580A-s001.pdf

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Backbone-controlled LUMO energy induces intramolecular C-H activation in ortho-bis-9-borafluorene-substituted phenyl and o-carboranyl compounds leading to novel 9,10-diboraanthracene derivatives.

Chemical Science

Krebs, Johannes J; Häfner, Alena A; Fuchs, Sonja S; Guo, Xueying X; Rauch, Florian F; Eichhorn, Antonius A; Krummenacher, Ivo I; Friedrich, Alexandra A; Ji, Lei L; Finze, Maik M; Lin, Zhenyang Z; Braunschweig, Holger H; Marder, Todd B TB

Publication Date: 2022-12-07

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PubMed Link: 36540825

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• SC-013-D2SC06057D-s001.pdf

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Synthesis, crystal structures, and Hirshfeld analysis of three hexa-hydro-quinoline derivatives.

Acta Crystallographica. Section E, Crystallographic Communications

Steiger, Scott A SA; Li, Chun C; Oliver, Allen G AG; Natale, Nicholas R NR

Publication Date: 2022-11-01

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PubMed Link: 36380902

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• e-78-01089.pdf

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(Z)-N'-[(E)-4-Meth-oxy-benzyl-idene]-2-(meth-oxy-imino)-2-{2-[(2-methyl-phen-oxy)meth-yl]phen-yl}acetohydrazide.

Iucrdata

Shripanavar, Chetan Shrimandhar CS; Butcher, Ray J RJ

Publication Date: 2020-08

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PubMed Link: 36338508

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• x-05-x201060.pdf

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3,4-Bis-O-propargyl-1,2:5,6-di-O-isopropylidene-D-mannitol: a study of multiple weak hydrogen bonds in the solid state.

Acta Crystallographica. Section C, Structural Chemistry

Mohammed, Adnan I AI; Bhadbhade, Mohan M MM; Read, Roger W RW

Publication Date: 2022-11-01

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PubMed Link: 36331888

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• c-78-00629-sup4.pdf
• c-78-00629.pdf

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New Pyrrole Derivatives as Promising Biological Agents: Design, Synthesis, Characterization, In Silico, and Cytotoxicity Evaluation.

International Journal Of Molecular Sciences

Ivan, Beatrice-Cristina BC; Barbuceanu, Stefania-Felicia SF; Hotnog, Camelia Mia CM; Anghel, Adriana Iuliana AI; Ancuceanu, Robert Viorel RV; Mihaila, Mirela Antonela MA; Brasoveanu, Lorelei Irina LI; Shova, Sergiu S; Draghici, Constantin C; Olaru, Octavian Tudorel OT; Nitulescu, George Mihai GM; Dinu, Mihaela M; Dumitrascu, Florea F

Publication Date: 2022-08-09

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PubMed Link: 36012121

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• ijms-23-08854.pdf

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Synthesis, crystal structure elucidation, DFT analysis, drug-likeness and ADMET evaluation and molecular docking studies of triazole derivatives: Binary inhibition of spike protein and ACE2 receptor protein of COVID-19.

Journal Of The Chinese Chemical Society. Zhongguo Hua Xue Hui (Taipei, Taiwan)

Murugavel, Saminathan S; Vasudevan, Perumal P; Chandrasekaran, RaviKumar R; Archana, Vellingiri V; Ponnuswany, Alagusundaram A

Publication Date: 2022-06

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PubMed Link: 35941959

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• JCCS-69-884.pdf

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Bis(catecholato-κ2 O,O')bis-(dimethyl sulfoxide-κO)titanium(IV).

Acta Crystallographica. Section E, Crystallographic Communications

Hewage, Nisansala N; Mastriano, Carolyn C; Brückner, Christian C; Zeller, Matthias M

Publication Date: 2022-04-01

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PubMed Link: 35492266

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• e-78-00385.pdf

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Physico-chemical study of new supramolecular-architectured hybrid organic-inorganic sulfates incorporating diammoniumdiphenylsulfone cations.

Rsc Advances

Bouguerra, Manel M; Mahroug, Adel A; Wróbel, Agata A; Trzybiński, Damian D; Woźniak, Krzysztof K; Belhouchet, Mohamed M

Publication Date: 2021-07-27

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PubMed Link: 35479443

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• RA-011-D1RA03696C.pdf

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Exploration of CH⋯F & CF⋯H mediated supramolecular arrangements into fluorinated terphenyls and theoretical prediction of their third-order nonlinear optical response.

Rsc Advances

Adeel, Muhammad M; Khalid, Muhammad M; Ullah, Malik Aman MA; Muhammad, Shabbir S; Khan, Muhammad Usman MU; Tahir, Muhammad Nawaz MN; Khan, Ilham I; Asghar, Muhammad M; Mughal, Khawar Shahzad KS

Publication Date: 2021-02-17

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PubMed Link: 35423290

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• RA-011-D0RA08528F.pdf

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Low-Temperature Isolation of a Labile Silylated Hydrazinium-yl Radical Cation, [(Me3 Si)2 N-N(H)SiMe3 ].

Chemistry (Weinheim An Der Bergstrasse, Germany)

Reiß, Fabian F; Villinger, Alexander A; Brand, Harald H; Baumann, Wolfgang W; Hollmann, Dirk D; Schulz, Axel A

Publication Date: 2022-06-10

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PubMed Link: 35404528

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• CHEM-28-0-s001.pdf

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Chloro-cobalt complexes with pyridyl-ethyl-derived di-aza-cyclo-alkanes.

Acta Crystallographica. Section E, Crystallographic Communications

Addison, Anthony W AW; Jaworski, Stephen J SJ; Jasinski, Jerry P JP; Turnbull, Mark M MM; Xiao, Fan F; Zeller, Matthias M; O'Connor, Molly A MA; Brayman, Elizabeth A EA

Publication Date: 2022-02-01

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PubMed Link: 35371556

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A tetra-nuclear nickel(II) complex, [Ni4(L)4](ClO4)4·C2H3N·2H2O, with an asymmetric Ni4O4 open-cubane-like core.

Acta Crystallographica. Section E, Crystallographic Communications

Patel, R N RN; Patel, S K SK; Patel, A K AK; Patel, N N; Butcher, Ray J RJ

Publication Date: 2022-01-01

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PubMed Link: 35145731

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Ready access to 7,8-dihydroindolo[2,3-d][1]benzazepine-6(5H)-one scaffold and analogues via early-stage Fischer ring-closure reaction.

Beilstein Journal Of Organic Chemistry

Kuznetcova, Irina I; Bacher, Felix F; Vegh, Daniel D; Chuang, Hsiang-Yu HY; Arion, Vladimir B VB

Publication Date: 2022

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PubMed Link: 35140815

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• Beilstein_J_Org_Chem-18-143-s001.pdf

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Isolation and Properties of the Long Elusive Deep Blue Soluble [K3 {(Nt Bu)3 S}2 ]. Cage Radical.

Angewandte Chemie (International Ed. In English)

Legendre, Christina M CM; Stückl, A Claudia AC; Sindlinger, Christian P CP; Herbst-Irmer, Regine R; Stalke, Dietmar D

Publication Date: 2022-03-01

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PubMed Link: 34905651

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• ANIE-61-0-s003.pdf

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Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids.

Acs Omega

O'Rourke, Brianna B; Lauderback, Clare C; Teodoro, Lara I LI; Grimm, Morgan M; Zeller, Matthias M; Mirjafari, Arsalan A; Guillet, Gary L GL; Hillesheim, Patrick C PC

Publication Date: 2021-11-30

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PubMed Link: 34870049

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• ao1c05241.pdf

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Synthesis of Indoloquinolines: An Intramolecular Cyclization Leading to Advanced Perophoramidine-Relevant Intermediates.

Molecules (Basel, Switzerland)

Johnston, Craig A CA; Cordes, David B DB; Lebl, Tomas T; Slawin, Alexandra M Z AMZ; Westwood, Nicholas J NJ

Publication Date: 2021-10-05

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PubMed Link: 34641583

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• molecules-26-06039.pdf

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Crystal structures and hydrogen-bonding analysis of a series of benzamide complexes of zinc(II) chloride.

Acta Crystallographica. Section E, Crystallographic Communications

Tinapple, Elizabeth E; Farrar, Sam S; Johnston, Dean H DH

Publication Date: 2021-09-01

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PubMed Link: 34584754

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Reactivity of a Dinuclear PdI Complex [Pd2(μ-PPh2)(μ2-OAc)(PPh3)2] with PPh3: Implications for Cross-Coupling Catalysis Using the Ubiquitous Pd(OAc)2/nPPh3 Catalyst System.

Organometallics

Scott, Neil W J NWJ; Ford, Mark J MJ; Husbands, David R DR; Whitwood, Adrian C AC; Fairlamb, Ian J S IJS

Publication Date: 2021-09-13

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PubMed Link: 34539028

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• om1c00347_si_001.pdf

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Crystal structure and Hirshfeld surface analysis of 1-[(E)-2-(5-chloro-2-hy-droxy-phen-yl)hydrazin-1-yl-idene]naphthalen-2(1H)-one.

Acta Crystallographica. Section E, Crystallographic Communications

Bougueria, Hassiba H; Chetioui, Souheyla S; Bensegueni, Mohammed Abdellatif MA; Djukic, Jean-Pierre JP; Benarous, Nesrine N

Publication Date: 2021-06-01

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PubMed Link: 34164150

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Different patterns of supra-molecular aggregation in three amides containing N-(benzo[d]thia-zol-yl) substituents.

Acta Crystallographica. Section E, Crystallographic Communications

Mahesha, Ninganayaka N; Yathirajan, Hemmige S HS; Nagma Banu, Holalagudu A HA; Kalluraya, Balakrishna B; Foro, Sabine S; Glidewell, Christopher C

Publication Date: 2021-05-01

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PubMed Link: 34026254

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Syntheses and structures of two benzoyl amides: 2-chloro-4-eth-oxy-3,5-dimeth-oxy-N-(3-oxo-cyclo-hex-1-en-1-yl)benzamide and 2-chloro-N-(5,5-dimethyl-3-oxo-cyclo-hex-1-en-1-yl)-4-eth-oxy-3,5-di-meth-oxy-benzamide.

Acta Crystallographica. Section E, Crystallographic Communications

Anderson, Alan J AJ; Butcher, Ray J RJ; Ollie, Edward E

Publication Date: 2021-03-01

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PubMed Link: 33953958

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Three-Component Self-Assembly Changes its Course: A Leap from Simple Polymers to 3D Networks of Spherical Host-Guest Assemblies.

Angewandte Chemie (International Ed. In English)

Peresypkina, Eugenia E; Grill, Kevin K; Hiltl, Barbara B; Virovets, Alexander V AV; Kremer, Werner W; Hilgert, Jan J; Tremel, Wolfgang W; Scheer, Manfred M

Publication Date: 2021-05-17

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PubMed Link: 33686782

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• ANIE-60-12132-s001.pdf

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Crystal structure of the RuPhos ligand.

Acta Crystallographica. Section E, Crystallographic Communications

Carsch, Kurtis M KM; Ho, William W; Lui, Kai Hin KH; Valtierra, Gregory G; Dogutan, Dilek K DK; Nocera, Daniel G DG; Zheng, Shao-Liang SL

Publication Date: 2021-02-01

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PubMed Link: 33614148

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The crystal structure of the deca-aluminum alkoxide cluster Al10O4(OH)8 L 14 (L = 1,1,1,3,3,3-hexa-fluoro-propan-2-olate).

Acta Crystallographica. Section E, Crystallographic Communications

Butcher, Ray J RJ; Purdy, Andrew P AP

Publication Date: 2021-02-01

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PubMed Link: 33614129

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Supramolecular Complexes of β-Cyclodextrin with Clomipramine and Doxepin: Effect of the Ring Substituent and Component of Drugs on Their Inclusion Topologies and Structural Flexibilities.

Pharmaceuticals (Basel, Switzerland)

Aree, Thammarat T

Publication Date: 2020-09-29

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PubMed Link: 33003431

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• pharmaceuticals-13-00278.pdf
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Crystal structure of N,N-diisopropyl-4-methyl-benzene-sulfonamide.

Acta Crystallographica. Section E, Crystallographic Communications

Stenfors, Brock A BA; Staples, Richard J RJ; Biros, Shannon M SM; Ngassa, Felix N FN

Publication Date: 2020-07-01

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PubMed Link: 32695444

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Structural comparison of five new halogenated dihydroquinoline-4(1H)-ones.

Journal Of Molecular Structure

Vaz, Wesley F WF; Michelini, Lidiane J LJ; Oliveira, Gerlon A R GAR; Lião, Luciano M LM; Perez, Caridad N CN; Oliver, Allen G AG; Napolitano, Hamilton B HB

Publication Date: 2020-11-05

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PubMed Link: 32536721

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Synthesis and crystal structures of a bis-(3-hy-droxy-cyclo-hex-2-en-1-one) and two hexa-hydro-quinoline derivatives.

Acta Crystallographica. Section E, Crystallographic Communications

Steiger, Scott A SA; Li, Chun C; Gates, Christina C; Natale, Nicholas R NR

Publication Date: 2020-02-01

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PubMed Link: 32071733

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Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethyl-enedi-amine and non-coordinated benzoate.

Acta Crystallographica. Section E, Crystallographic Communications

Qadir, Adnan M AM; Kansiz, Sevgi S; Rosair, Georgina M GM; Dege, Necmi N; Iskenderov, Turganbay S TS

Publication Date: 2020-01-01

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PubMed Link: 31921462

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Tetra-n-butyl-ammonium orotate monohydrate: knowledge-based comparison of the results of accurate and lower-resolution analyses and a non-routine disorder refinement.

Acta Crystallographica. Section E, Crystallographic Communications

Ara, Irene I; Basdouri, Zeineb Z; Falvello, Larry R LR; Graia, Mohsen M; Guerra, Pablo P; Tomás, Milagros M

Publication Date: 2019-11-01

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PubMed Link: 31709081

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The crystal structures and Hirshfeld surface analyses of four 3,5-diacetyl-2-methyl-2,3-di-hydro-1,3,4-thia-diazol-2-yl derivatives.

Acta Crystallographica. Section E, Crystallographic Communications

NizamMohideen, M M; Syed Abuthahir, S S; Viswanathan, V V; Velmurugan, D D; Karthik Ananth, M M

Publication Date: 2019-10-01

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PubMed Link: 31636972

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Crystal structure, Hirshfeld surface analysis and DFT studies of 5-bromo-1-{2-[2-(2-chloro-eth-oxy)eth-oxy]eth-yl}indoline-2,3-dione.

Acta Crystallographica. Section E, Crystallographic Communications

Abdellaoui, Omar O; Hökelek, Tuncer T; Capet, Frédéric F; Renard, Catherine C; Haoudi, Amal A; Skalli, Mohamed Khalid MK; Kandri Rodi, Youssef Y

Publication Date: 2019-09-01

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PubMed Link: 31523469

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Crystal structure of a binuclear mixed-valence ytterbium complex containing a 2-anthracene-substituted phenoxide ligand.

Acta Crystallographica. Section E, Crystallographic Communications

Berg, David J DJ; Twamley, Brendan B

Publication Date: 2019-09-01

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PubMed Link: 31523468

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Crystal structure of tetra-methyl-ammonium 1,1,7,7-tetra-cyano-hepta-2,4,6-trienide.

Acta Crystallographica. Section E, Crystallographic Communications

Bogdanov, Georgii G; Tillotson, John P JP; Bustos, Jenna J; Fonari, Marina M; Timofeeva, Tatiana V TV

Publication Date: 2019-09-01

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Crystal structure and Hirshfeld surface analysis of 2-[(2-oxo-2H-chromen-4-yl)-oxy]acetic acid dimethyl sulfoxide monosolvate.

Acta Crystallographica. Section E, Crystallographic Communications

Syed Abuthahir, S S; NizamMohideen, M M; Viswanathan, V V; Govindhan, M M; Subramanian, K K

Publication Date: 2019-08-01

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PubMed Link: 31417777

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Crystal structures of two new isocoumarin derivatives: 8-amino-6-methyl-3,4-diphenyl-1H-isochromen-1-one and 8-amino-3,4-diethyl-6-methyl-1H-isochromen-1-one.

Acta Crystallographica. Section E, Crystallographic Communications

Syed Abuthahir, S S; NizamMohideen, M M; Mayakrishnan, S S; Uma Maheswari, N N; Viswanathan, V V

Publication Date: 2019-08-01

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Crystal structure of (E)-N-cyclo-hexyl-2-(2-hy-droxy-3-methyl-benzyl-idene)hydrazine-1-carbo-thio-amide.

Acta Crystallographica. Section E, Crystallographic Communications

Arafath, Md Azharul MA; Kwong, Huey Chong HC; Adam, Farook F

Publication Date: 2019-07-01

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PubMed Link: 31392026

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Protein-like Enwrapped Perylene Bisimide Chromophore as a Bright Microcrystalline Emitter Material.

Angewandte Chemie (International Ed. In English)

Schmidt, David D; Stolte, Matthias M; Süß, Jasmin J; Liess, Andreas A; Stepanenko, Vladimir V; Würthner, Frank F

Publication Date: 2019-09-16

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Crystal structure of a host-guest complex between mephedrone hydro-chloride and a tetra-phospho-nate cavitand.

Acta Crystallographica. Section E, Crystallographic Communications

Biavardi, Elisa E; Massera, Chiara C

Publication Date: 2019-02-01

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PubMed Link: 30800467

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Crystal structure of 6-(4-chloro-phen-yl)-6a-nitro-6a,6b,8,9,10,12a-hexa-hydro-6H,7H-spiro[chromeno[3,4-a]indolizine-12,11'-indeno-[1,2-b]quinoxaline].

Acta Crystallographica. Section E, Crystallographic Communications

Syed Abuthahir, S S; NizamMohideen, M M; Viswanathan, V V; Velmurugan, D D; Nagasivarao, J J

Publication Date: 2019-02-01

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The crystal structures of 6'-(4-chloro-phen-yl)- and 6'-(4-meth-oxy-phen-yl)-6a'-nitro-6a',6b',7',9',10',12a'-hexa-hydro-2H,6'H,8'H-spiro-[ace-naphthyl-ene-1,12'-chromeno[3,4-a]indolizin]-2-one.

Acta Crystallographica. Section E, Crystallographic Communications

Syed Abuthahir, S S; NizamMohideen, M M; Viswanathan, V V; Velmurugan, D D; Nagasivarao, J J

Publication Date: 2019-02-01

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A new, deep quinoxaline-based cavitand receptor for the complexation of benzene.

Acta Crystallographica. Section E, Crystallographic Communications

Pinalli, Roberta R; Trzciński, Jakub W JW; Dalcanale, Enrico E; Massera, Chiara C

Publication Date: 2019-02-01

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PubMed Link: 30800431

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Crystal structure, Hirshfeld surface analysis and DFT studies of (E)-1-(4-bromo-phen-yl)-3-(3-fluoro-phen-yl)prop-2-en-1-one.

Acta Crystallographica. Section E, Crystallographic Communications

Zaini, Muhamad Fikri MF; Razak, Ibrahim Abdul IA; Anis, Mohamad Zahid MZ; Arshad, Suhana S

Publication Date: 2019-01-01

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PubMed Link: 30713734

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Crystal Correlation Of Heterocyclic Imidazo[1,2-a]pyridine Analogues and Their Anticholinesterase Potential Evaluation.

Scientific Reports

Kwong, Huey Chong HC; Chidan Kumar, C S CS; Mah, Siau Hui SH; Mah, Yew Leng YL; Chia, Tze Shyang TS; Quah, Ching Kheng CK; Lim, Gin Keat GK; Chandraju, Siddegowda S

Publication Date: 2019-01-30

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PubMed Link: 30700752

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• 41598_2018_Article_37486.pdf

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High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.

Chemical Science

Randall McClain, K K; Gould, Colin A CA; Chakarawet, Khetpakorn K; Teat, Simon J SJ; Groshens, Thomas J TJ; Long, Jeffrey R JR; Harvey, Benjamin G BG

Publication Date: 2018-12-07

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PubMed Link: 30568773

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• SC-009-C8SC03907K-s001.pdf

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A hypothesis of sudden body fluid vaporization in the 79 AD victims of Vesuvius.

Plos One

Petrone, Pierpaolo P; Pucci, Piero P; Vergara, Alessandro A; Amoresano, Angela A; Birolo, Leila L; Pane, Francesca F; Sirano, Francesco F; Niola, Massimo M; Buccelli, Claudio C; Graziano, Vincenzo V

Publication Date: 2018

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PubMed Link: 30256793

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A resonance-assisted intra-molecular hydrogen bond in compounds containing 2-hy-droxy-3,5-di-nitro-benzoic acid and its various deprotonated forms: redetermination of several related structures.

Acta Crystallographica. Section E, Crystallographic Communications

Fábry, Jan J

Publication Date: 2018-09-01

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PubMed Link: 30225130

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Crystal structure and theoretical studies of two π-conjugated fused-ring chalcones: (E)-1-(anthra-cen-9-yl)-3-(9-ethyl-9H-carbazol-3-yl)prop-2-en-1-one and (E)-1-(anthracen-9-yl)-3-[4-(9H-carbazol-9-yl)phen-yl]prop-2-en-1-one.

Acta Crystallographica. Section E, Crystallographic Communications

Zainuri, Dian Alwani DA; Razak, Ibrahim Abdul IA; Arshad, Suhana S

Publication Date: 2018-09-01

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PubMed Link: 30225122

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The crystal structure of bis-[(E)-4-bromo-2-({[2-(pyridin-2-yl)eth-yl]imino}-meth-yl)phenol]nickel(II) bis-[(E)-4-bromo-2-({[2-(pyridin-2-yl)eth-yl]imino}-meth-yl)phenolato]nickel(II) bis(perchlorate) methanol monosolvate, a structure containing strong inter-species hydrogen bonds.

Acta Crystallographica. Section E, Crystallographic Communications

Okeke, Ugochukwu U; Otchere, Raymond R; Gultneh, Yilma Y; Butcher, Ray J RJ

Publication Date: 2018-08-01

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PubMed Link: 30116575

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An isolable catenane consisting of two Möbius conjugated nanohoops.

Nature Communications

Fan, Yang-Yang YY; Chen, Dandan D; Huang, Ze-Ao ZA; Zhu, Jun J; Tung, Chen-Ho CH; Wu, Li-Zhu LZ; Cong, Huan H

Publication Date: 2018-08-02

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PubMed Link: 30072717

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