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).
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 n class="Chemical">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).
Authors: Jonathan L Sessler; Evgeny Katayev; G Dan Pantos; Pavel Scherbakov; Marina D Reshetova; Victor N Khrustalev; Vincent M Lynch; Yuri A Ustynyuk Journal: J Am Chem Soc Date: 2005-08-17 Impact factor: 15.419
Authors: Rizvan K Askerov; Vladimir V Roznyatovsky; Evgeny A Katayev; Abel M Maharramov; Victor N Khrustalev Journal: Acta Crystallogr Sect E Struct Rep Online Date: 2010-02-20
Authors: Jonathan L Sessler; Vladimir Roznyatovskiy; G Dan Pantos; Natalya E Borisova; Marina D Reshetova; Vincent M Lynch; Victor N Khrustalev; Yuri A Ustynyuk Journal: Org Lett Date: 2005-11-10 Impact factor: 6.005