2-Amino-5-oxo-4-(thio-phen-2-yl)-5,6,7,8-tetra-hydro-4 H-chromene-3-carbo-nitrile

IUCrdata. 2024 Nov 8;9(Pt 11):x241049. doi: 10.1107/S2414314624010496. eCollection 2024 Nov.

Abstract

The crystal structure of the title compound, C14H12N2O2S, reveals two symmetrically independent mol-ecules within the asymmetric unit. Each mol-ecule contains a chromenone core attached to a 2-thio-phene ring, cyano, and amino groups. The 2-thio-phene ring of one of the two mol-ecules in the asymmetric unit was found to be disordered over two positions, with the major component having a site occupancy factor of 0.837 (2). The 2-thio-phene ring is nearly orthogonal to the fused 4H-pyran ring, with dihedral angles between the two sets of planes being 89.5 (5) and 89.63 (8)°. Inter-molecular hydrogen bonding, involving N-H⋯N and N-H⋯O inter-actions, creates two distinct motifs leading to the formation of a two-dimensional supra-molecular network along the crystallographic ac plane.

Keywords: chromenone; crystal structure; hydrogen bond; pyran.

Grants and funding

The authors acknowledge the University of KwaZulu-Natal for financial support.