Multicomponent solvate crystals of 3,5-dinitrobenzoic acid and acetamide and CSD analysis of solvates

TitleMulticomponent solvate crystals of 3,5-dinitrobenzoic acid and acetamide and CSD analysis of solvates
Publication TypeJournal Article
Year of Publication2023
AuthorsShaikh, TRafique, Shelke, N, Tothadi, S
JournalACS Omega
Volume8
Issue27
Pagination24644-24653
Date PublishedJUN
Type of ArticleArticle
ISSN2470-1343
KeywordsCo-Crystals, Design, Host Guest Complex, solvent
Abstract

Twelve multicomponent solvate crystals (cocrystal solvates) of 3,5-dinitrobenzoic acid and acetamide were synthesized via slow evaporation method. All crystalline materials were characterized by single-crystal X-ray diffraction. All cocrystal solvates are isostructural, and crystal packing forms continuous channels where some solvent molecules are connected via weak intermolecular interactions with 3,5dinitrobenzoic acid and acetamide. All multicomponent solvate crystals encompass amide-amide dimer homo synthons and form R22 (8) motifs. Moreover, the phase purity of solvate crystals was analyzed by powder Xray diffraction. Further, most of the cocrystal solvates were analyzed by nuclear magnetic resonance and differential scanning calorimetry. Cambridge structural database analysis categorizes solvate propensity in single-crystal structures. The importance of hydrogen bond donor/ acceptor nature, size, and shape of solvents is also discussed in the context of crystallization and crystal packing.

DOI10.1021/acsomega.3c03091
Type of Journal (Indian or Foreign)

Foreign

Impact Factor (IF)

17.1

Divison category: 
Organic Chemistry
Database: 
Web of Science (WoS)

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