| Literature DB >> 21580632 |
Rizvan K Askerov, Vladimir V Roznyatovsky, Evgeny A Katayev, Abel M Maharramov, Victor N Khrustalev.
Abstract
In the title solvate, C(30)H(24)N(4)O(2)S·CH(3)CN, the substituted thiophene possesses approximate C(s)(m) intrinsic symmetry, with the mirror plane passing through the S atom and the mid-point of the (Ph)C-C(Ph) bond. Despite the main backbone of the mol-ecule being a long chain of conjugated bonds, it adopts a non-planar conformation due to the presence of various intra- and inter-molecular hydrogen bonds. The hydrogen bonds result in twist configurations for both the amido and amino-phenyl fragments relative to the central thio-phene ring. There are two intra-molecular N(amine)-H⋯O hydrogen bonds within the thio-phene-2,5-dicarboxamide mol-ecule that form seven-membered rings. In the crystal, the thio-phene-2,5-dicarboxamide mol-ecules form inversion dimers by four amide-amine N-H⋯N hydrogen bonds. The dimers are further linked into layers propagating in (100) both directly (via N(amine)-H⋯O hydrogen bonds) and through the acetonitrile solvate mol-ecules (via amine-cyano N-H⋯N and C(Me)-H⋯O inter-actions).Entities:
Year: 2010 PMID: 21580632 PMCID: PMC2983892 DOI: 10.1107/S1600536810008780
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368