Abstract
In the title solvate, C30H24N4O2S·CH3CN, the substituted thiophene possesses approximate Cs(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 molecule being a long chain of conjugated bonds, it adopts a non-planar conformation due to the presence of various intra- and intermolecular hydrogen bonds. The hydrogen bonds result in twist configurations for both the amido and aminophenyl fragments relative to the central thiophene ring. There are two intramolecular Namine—H⋯O hydrogen bonds within the thiophene-2,5-dicarboxamide molecule that form seven-membered rings. In the crystal, the thiophene-2,5-dicarboxamide molecules 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 Namine—H⋯O hydrogen bonds) and through the acetonitrile solvate molecules (via amine–cyano N—H⋯N and CMe—H⋯O interactions).
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More From: Acta Crystallographica Section E Structure Reports Online
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