Crystal structure of ethyl 2-amino-4-(4-chloro­phen­yl)-4H-1-benzothieno[3,2-b]pyran-3-carboxyl­ate

Acta Crystallographica Section E: Crystallographic Communications

El Yazidi, M.²  Bakhouch, M.⁴  Saadi, M.⁴  El Ammari, L.⁷  Mahfoud, A.⁷ 

[1] Mohammed V, Avenue Ibn Battouta, BP 1014, Rabat, Morocco;des Sciences, Dhar Mehraz, BP 1796 Atlas, 30000 Fes, Morocco;des Sciences, UniversitéDéLaboratoire de Chimie du Solide Appliquée, Facultépartement de Chimie, Faculté

关键词: CRYSTAL STRUCTURE;    THIOAURONES;    THIOPHENONES;    BENZOTHIENOPYRAN;    N-H...O HYDROGEN BONDS;    INVERSION DIMERS;    CL...O SHORT CONTACT.;   

DOI  :  10.1107/S2056989015014085

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The title compound, C20H16ClNO3S, is built up from three fused rings, one five- and two six-membered rings, linked to a 3-eth­oxy­carbonyl group and to a 4-chloro­phenyl ring. The hydropyran ring has a flattened envelope conformation, with the C atom substituted by the 4-chloro­phenyl ring as the flap (displaced by 0.077 (2) Å from the plane through the other atoms). The fused three-ring system is quasi-planar (r.m.s. deviation = 0.057 Å), with the largest deviation from the mean plane being 0.106 (1) Å for the C atom substituted by the 4-chloro­phenyl ring. The 4-chloro­phenyl ring is approximately perpendicular to the mean plane of the fused ring system, as indicated by the dihedral angle of 77.32 (6)° between their mean planes. There is an intra­molecular N—H⋯O hydrogen bond forming an S(6) ring motif. In the crystal, mol­ecules are linked by pairs of N—H⋯O hydrogen bonds, forming inversion dimers with an R22(12) ring motif. There are also short inter­molecular Cl⋯O inter­actions present [3.1226 (12) Å] between neighbouring mol­ecules.

【 授权许可】

CC BY