In situ Crystallization Technique – an Approach to Circumvent Crystal Structures with high Z′-Crystallization Behavior of (CF3)2C–OH
作者： Gregor Lipinski , Bert Mallik , Klaus Merz
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摘要: In situ crystallization on the diffractometer of 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP) with and without pyridine allows to obtain new polymorphic form II HFIP cocrystal HFIP-pyridine. contrast known I, single-crystal X-ray diffraction analysis shows a reduced number molecules in asymmetric unit (form I: Z′ = 8, II: 4) Furthermore, UNI Force Field calculations were used gain deeper understanding intermolecular potentials main interactions described crystal structures.
sci-hub.se 参考文章(51)
Vera Vasylyeva, Oleg V. Shishkin, Andrey V. Maleev, Klaus Merz, Crystal Structures of Fluorinated Pyridines from Geometrical and Energetic Perspectives Crystal Growth & Design. ,vol. 12, pp. 1032- 1039 ,(2012) , 10.1021/CG201623E
Daniela Vuluga, Julien Legros, Benoit Crousse, Alexandra M. Z. Slawin, Christian Laurence, Pierre Nicolet, Danièle Bonnet-Delpon, Influence of the structure of polyfluorinated alcohols on Brønsted acidity/hydrogen-bond donor ability and consequences on the promoter effect. Journal of Organic Chemistry. ,vol. 76, pp. 1126- 1133 ,(2011) , 10.1021/JO1023816
Klaus Merz, Mathies V. Evers, Felix Uhl, Roman I. Zubatyuk, Oleg V. Shishkin, Role of CHF2- and CF3-Substituents on Molecular Arrangement in the Solid State: Experimental and Theoretical Crystal Structure Analysis of CH3/CHF2/CF3-Substituted Benzene Crystal Growth & Design. ,vol. 14, pp. 3124- 3130 ,(2014) , 10.1021/CG500413J
Orion B. Berryman, Charles A. Johnson, Chris L. Vonnegut, Kevin A. Fajardo, Lev N. Zakharov, Darren W. Johnson, Michael M. Haley, Solid-State Examination of Conformationally Diverse Sulfonamide Receptors Based on Bis(2-anilinoethynyl)pyridine, -Bipyridine, and -Thiophene Crystal Growth & Design. ,vol. 15, pp. 1502- 1511 ,(2015) , 10.1021/CG5018856
Klaus Merz, Ruth Bieda, In situ Crystallization of N(SiMe3)3 and As(SiMe3)3: Trigonal planar or pyramidal coordination of the central atoms? Zeitschrift Fur Kristallographie. ,vol. 229, pp. 635- 638 ,(2014) , 10.1515/ZKRI-2013-1719
Josef Fried, Emily F. Sabo, SYNTHESIS OF 17α-HYDROXYCORTICOSTERONE AND ITS 9α-HALO DERIVATIVES FROM 11-EPI-17α-HYDROXYCORTICOSTERONE Journal of the American Chemical Society. ,vol. 75, pp. 2273- 2274 ,(1953) , 10.1021/JA01105A527
N. Jagadeesh Babu, Ashwini Nangia, Solubility Advantage of Amorphous Drugs and Pharmaceutical Cocrystals Crystal Growth & Design. ,vol. 11, pp. 2662- 2679 ,(2011) , 10.1021/CG200492W
Kacper W. Rajewski, Michał Andrzejewski, Andrzej Katrusiak, Competition between Halogen and Hydrogen Bonds in Triiodoimidazole Polymorphs Crystal Growth & Design. ,vol. 16, pp. 3869- 3874 ,(2016) , 10.1021/ACS.CGD.6B00436
Kinga Roszak, Anna Katrusiak, Andrzej Katrusiak, High-Pressure Preference for the Low Z′ Polymorph of a Molecular Crystal Crystal Growth & Design. ,vol. 16, pp. 3947- 3953 ,(2016) , 10.1021/ACS.CGD.6B00521
Jędrzej Marciniak, Michał Kaźmierczak, Kacper W. Rajewski, Andrzej Katrusiak, Volume and Pressure Effects for Solvation: The Case Study on Polymorphs of Neat Triiodoimidazole Replaced by Its Solvate Crystal Growth & Design. ,vol. 16, pp. 3917- 3923 ,(2016) , 10.1021/ACS.CGD.6B00483