2-(3-Ethyl-sulfanyl-5-phenyl-1-benzofuran-2-yl)acetic acid.

ABSTRACT: The title compound, C(18)H(16)O(3)S, crystallizes with two symmetry-independent mol-ecules in the asymmetric unit. The phenyl rings are rotated out of the benzofuran planes, making dihedral angles of 43.38?(7) and 56.13?(6)° in the two mol-ecules. The carboxyl groups are involved in inversion-related inter-molecular O-H?O hydrogen bonds, which link the mol-ecules into centrosymmetric dimers. These dimers are further packed into stacks along the b axis by weak non-classical inter-molecular C-H?O hydrogen bonds. The crystal structure also exhibits inter-molecular C-H?? inter-actions, and two aromatic ?-? inter-actions between the furan rings of neighbouring benzofuran systems; the centroid-centroid distances are 3.500?(3) and 3.605?(3)?Å.

SUBMITTER: Choi HD 

PROVIDER: S-EPMC2970066 | biostudies-literature | 2009

REPOSITORIES: biostudies-literature