Crystal structure of 2-amino-3-cyano-4-(4-methoxyphenyl)-4H-1-benzothieno[3,2-b]pyran

Abstract

The three fused five- and six-membered rings in the title compound, C19H14N2O2S, are virtually coplanar, with the maximum deviation from the mean plane being 0.060 (1) Å. This benzothieno[3,2-b]pyran ring system is nearly perpendicular to the plane of the 4-methoxyphenyl ring, forming a dihedral angle of 83.65 (5)°. In the crystal, molecules are linked by pairs of N—H...N hydrogen bonds into inversion dimers. The dimeric units are further connected by an N—H...O hydrogen bond into a tape running along the b axis. The tapes are linked together by C—H...N and π–π interactions [centroid–centroid distance = 3.7743 (8) Å], forming a three-dimensional network.

Keywords

• crystal structure
• benzothino[3,2-b]pyran
• 2-amino-4-aryl-4H-pyran