Results 1 to 10 of about 3,703 (215)
Supramolecular synthon hierarchy in sulfonamide cocrystals with syn-amides and N-oxides [PDF]
IUCrJ, 2019 Sulfonamide drugs are well known antibacterial and antimicrobial molecules for pharmaceutical development. Building a library of suitable supramolecular synthons for the sulfonamide functional group and understanding their crystal structures with partner
Geetha Bolla, Ashwini Nangia
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Supramolecular Synthon Identification in Azelaic Acid – Isonicotinamide
Journal of Magnetic Resonance Open, 2022 Supramolecular synthons are the smallest structural units that contain the information inherent in building large molecular assemblies. Here, we apply solid-state NMR methods for the identification of the synthon in a cocrystal of Azelaic acid [(CH2)7 ...
Jayasubba Reddy Yarava +4 more
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Assessment of Computational Tools for Predicting Supramolecular Synthons [PDF]
Chemistry, 2021 The ability to predict the most likely supramolecular synthons in a crystalline solid is a valuable starting point for subsequently predicting the full crystal structure of a molecule with multiple competing molecular recognition sites.
Bhupinder Sandhu +4 more
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The interplay between hydrogen bonds and stacking/T-type interactions in molecular cocrystals [PDF]
Communications ChemistrySupramolecular synthon and hydrogen bond pairing approaches have influenced the understanding of cocrystal formation for decades, but are hydrogen bonds really the dominant interaction in cocrystals?
Aurora J. Cruz-Cabeza +2 more
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A new monoclinic polymorph of N-(3-methylphenyl) ethoxycarbothioamide: Crystal structure and Hirshfeld surface analysis [PDF]
, 2017 The title compound, C10H13NOS, is a second monoclinic polymorph (space group P21/c, Z′ = 2) of the previously reported C2/c (Z = 1) polymorph [Tadbuppa & Tiekink (2005). Z. Kristallogr. New Cryst. Struct. 220, 395–396].
Mukesh M, +2 more
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Crystals, 2023 Single crystals of two polymorphic forms of 4′-methyl-2,4-dinitrodiphenylamine were obtained by crystallization and characterized by X-ray diffraction analysis.
Ivan V. Fedyanin, Aida I. Samigullina
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Crystals at a Carrefour on the Way through the Phase Space: A Middle Path
Molecules, 2021 Multiple supramolecular functionalities of cyclic α-alkoxy tellurium-trihalides (including Te---O, Te---X (X = Br, I) and Te---π(C=C) supramolecular synthons) afford rich crystal packing possibilities, which consequently results in polymorphism or Z’ > 1
Yury V. Torubaev, Ivan V. Skabitsky
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Cocrystal of 4-Nitrophenol and 2,1,3-Benzoselenadizole
Molbank, 2023 The 1:1 cocrystal of 4-nitrophenol (NP) and 2,1,3-benzoselenadiazole (BSA) was successfully synthesized. The X-ray single-crystal diffraction analysis revealed that the structure contained a [Se–N]2 cyclic supramolecular synthon.
Honghong Lan, Shaobin Miao, Weizhou Wang
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Chemistry, 2022 A slight modification of the synthetic procedure resulted in a new (Cc) polymorph of vinylic tellurium-trichloride Z-Cl(Ph)C=C(Ph)TeCl3 (1, β-form) which is stabilized by Te⋯Cl chalcogen bonds, assembling its molecules into the zigzag chains.
Yury V. Torubaev, Aida S. Samigullina
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Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals
IUCrJ, 2015 The design of novel supramolecular synthons for functional groups relevant to drugs is an essential prerequisite for applying crystal engineering in the development of novel pharmaceutical cocrystals.
Geetha Bolla +2 more
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