Crystal structure of diethyl 2-amino-6-[(thiophen-3-yl)ethynyl]azulene-1,3-dicarboxylate

Abstract

The title compound, C22H19NO4S, has an almost planar geometry supported by intramolecular N—H...O and C—H...O hydrogen bonds. The thiophene ring is inclined to the azulene ring by 4.85 (16)°, while the ethoxycarbonyl groups are inclined to the azulene ring by 7.0 (2) and 5.7 (2)°. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with an R22(12) ring motif. The dimers are linked via C—H...π interactions, forming sheets parallel to (10-1).

Keywords

• crystal structure
• azulene
• thiophene
• 3-thienylethynyl
• hydrogen bonds
• C—H...π interactions