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Crystal structure of diethyl 2-amino-6-[(thio-phen-3-yl)ethyn-yl]azulene-1,3-di-carboxyl-ate.

ABSTRACT: The title compound, C22H19NO4S, has an almost planar geometry supported by intra-molecular N-H?O and C-H?O hydrogen bonds. The thio-phene ring is inclined to the azulene ring by 4.85?(16)°, while the eth-oxy-carbonyl groups are inclined to the azulene ring by 7.0?(2) and 5.7?(2)°. In the crystal, mol-ecules are linked by pairs of N-H?O hydrogen bonds, forming inversion dimers with an R 2 (2)(12) ring motif. The dimers are linked via C-H?? inter-actions, forming sheets parallel to (10-1).

SUBMITTER: Forster S

PROVIDER: S-EPMC4350707 | biostudies-literature | 2015 Mar

REPOSITORIES: biostudies-literature

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Crystal structure of diethyl 2-amino-6-[(thio-phen-3-yl)ethyn-yl]azulene-1,3-di-carboxyl-ate.

Förster Sebastian S Seichter Wilhelm W Weber Edwin E

Acta crystallographica. Section E, Crystallographic communications 20150228 Pt 3

The title compound, C22H19NO4S, has an almost planar geometry supported by intra-molecular N-H⋯O and C-H⋯O hydrogen bonds. The thio-phene ring is inclined to the azulene ring by 4.85 (16)°, while the eth-oxy-carbonyl groups are inclined to the azulene ring by 7.0 (2) and 5.7 (2)°. In the crystal, mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, forming inversion dimers with an R 2 (2)(12) ring motif. The dimers are linked via C-H⋯π inter-actions, forming sheets parallel to (10-1). ...[more]

PMID: 25844254

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