N,N'-Bis(2-amino-phen-yl)-3,4-diphenyl-thio-phene-2,5-dicarboxamide acetonitrile solvate.

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).

SUBMITTER: Askerov RK 

PROVIDER: S-EPMC2983892 | biostudies-other | 2010

REPOSITORIES: biostudies-other