Abstract
The asymmetric unit of the title compound, C25H21N3O2S, comprises four mol-ecules. Their conformations differ primarily in the orientations of the styryl and the N-phenyl-carboxamido groups. In the crystal, inter-molecular N-H⋯N, C-H⋯O and C-H⋯S hydrogen-bonding contacts as well a C-H⋯π(ring) inter-actions lead to the formation of a layer structure parallel to (010). Hirshfeld surface analysis revealed that H⋯H inter-actions represent the main contributions to the crystal packing.
Highlights
The asymmetric unit of the title compound, C25H21N3O2S, comprises four molecules
Intermolecular N—HÁ Á ÁN, C—HÁ Á ÁO and C—HÁ Á ÁS hydrogen-bonding contacts as well a C—HÁ Á Á(ring) interactions lead to the formation of a layer structure parallel to (010)
Encouraged by the above facts, we report in this communication the synthesis and crystal structure determination of the title compound, C25H21N3O2S (I)
Summary
Thienopyridine derivatives are well known to possess various functional and medicinal properties with general applications as synthetic building blocks or as pharmaceuticals (Litvinov et al, 2005; Dotsenko et al, 2020; Bakhite, 2003; Al-Waleedy et al, 2020; Abuelhassan et al, 2021). The conformations of the four molecules differ primarily in the varying orientations of the styryl and the N-phenylcarboxamido groups, as indicated by the torsion and dihedral angles collated in Tables 1 and 2. The orientations of the latter substituents are partially deter-. Mined by the intramolecular N—HÁ Á ÁO hydrogen bond (Table 3 and Fig. 2). In each molecule, both the thiophene and pyridine rings are planar to within 0.0235 (11) A (maximum r.m.s deviation = 0.0163 A ) and 0.0197 (12) A (maximum r.m.s deviation = 0.0125 A ). Other bond lengths and angles are all in the expected ranges
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