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Crystal structure of (E)-2-cyano-3-(12-methyl-12H-benzo[b]phenothiazin-11-yl)acrylic acid
In the title compound, C(21)H(14)N(2)O(2)S, a donor–acceptor type of benzo[b]phenothiazine (bpz) derivative, the thiazine ring adopts a boat conformation and the bond-angle sum at the N atom is 360.0°. The dihedral angle between the benzene ring and the naphthelene ring system fused to the thiaz...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186111/ https://www.ncbi.nlm.nih.gov/pubmed/25309206 http://dx.doi.org/10.1107/S1600536814018388 |
Sumario: | In the title compound, C(21)H(14)N(2)O(2)S, a donor–acceptor type of benzo[b]phenothiazine (bpz) derivative, the thiazine ring adopts a boat conformation and the bond-angle sum at the N atom is 360.0°. The dihedral angle between the benzene ring and the naphthelene ring system fused to the thiazine ring is 32.76 (5)°. In the crystal, carboxylic-acid inversion dimers linked by pairs of O—H⋯O hydrogen bonds generate R (2) (2)(8) loops. Aromatic π–π stacking [shortest centroid–centroid separaton = 3.5242 (13)Å] consolidates the structure and very weak C—H⋯O and C—H⋯N interactions also occur. |
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