Acta Crystallographica Section E (Oct 2010)

Ethyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Muhammad Naeem Khan,
  • Misbahul Ain Khan,
  • M. Nawaz Tahir,
  • Asma Mukhtar

DOI
https://doi.org/10.1107/s1600536810037761
Journal volume & issue
Vol. 66, no. 10
pp. o2652 – o2652

Abstract

Read online

The molecule of the title compound, C18H19NO3S, adopts an approximately planar conformation: the thiophene and phenyl rings form a dihedral angle of 8.13 (11)° while the ethyl ester group (r.m.s. deviation = 0.0217 Å) is inclined at 1.25 (14) and 8.61 (13)°, respectively, to the thiophene and phenyl rings. An intramolecular N—H...O hydrogen bond with an S(6) ring motif occurs as well as an intramolecular S...O hypervalent interaction [S...O = 2.7369 (18) Å]. The cyclohexene ring adopts a half-chair conformation and is disordered over two positions with site occupation factors of 0.641 (6) and 0.359 (6). In the crystal, inversion dimers linked by pairs of O—H...O hydrogen bonds generate R22(10) loops.