Crystal structure and Hirshfeld surface analysis of 10-hydroxy-2-(4-methoxyphenyl)-3-oxo-2,3,3a,4,10,10a-hexahydro-1H-9-thia-2-azacyclopenta[b]fluorene-4-carboxylic acid dimethyl sulfoxide-d6 monosolvate
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Dosyalar
Tarih
2023
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
In the title compound, C22H19NO5S·C2D6OS, the central six-membered ring has a slightly distorted boat conformation, while the fused pyrrolidine ring adopts an envelope conformation. These conformations are stabilized by O—H?O hydrogen bonds between the main compound and solvent molecules. In addition, intramolecular C—H?O hydrogen bonds in the main molecule form two S(6) rings. Molecules are connected by pairs of intermolecular C—H?O hydrogen bonds, forming dimers with a R22(8) motif. These dimers form a three-dimensional network through O—H?O, O—H?S and C—H?O hydrogen bonds with each other directly and through solvent molecules. In addition, weak ?–? stacking interactions [centroid-to-centroid distances = 3.9937?(10) and 3.9936?(10)?Å, slippages of 2.034 and 1.681?Å] are observed. The intermolecular contacts were quantified using Hirshfeld surface analysis and two …
Açıklama
Anahtar Kelimeler
crystal structure, disorder, dimer, hydrogen bonds, Hirshfeld surface analysis
Kaynak
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Scopus Q Değeri
Cilt
79
Sayı
12
