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Crystal structure of 4-(6-chloro-4-oxo-4H-chromen-3-yl)-2-methylamino-3-nitro-4H,5H-pyrano[3,2-c]chromen-5-one chloroform monosolvate
In the title compound, C(23)H(14)Cl(4)N(2)O(7), the pyran ring has an envelope conformation with the methine C atom as the flap. The chromene rings are almost planar (r.m.s. deviations of 0.027 and 0.018 Å) and their mean planes are inclined to one another by 85.61 (10)°. The mean planes of the pyra...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518942/ https://www.ncbi.nlm.nih.gov/pubmed/26279937 http://dx.doi.org/10.1107/S2056989015011810 |
Sumario: | In the title compound, C(23)H(14)Cl(4)N(2)O(7), the pyran ring has an envelope conformation with the methine C atom as the flap. The chromene rings are almost planar (r.m.s. deviations of 0.027 and 0.018 Å) and their mean planes are inclined to one another by 85.61 (10)°. The mean planes of the pyran ring and the chromene ring fused to it are inclined to one another by 7.41 (13)°. The molecular structure is stabilized by an intramolecular N—H⋯O hydrogen bond, generating an S(6) ring motif. In the crystal, molecules 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 by pairs of C—H⋯O hydrogen bonds, enclosing R (2) (2)(18) ring motifs, forming chains along [010]. Within the chains there are C—H⋯π interactions. The chains are linked via slipped parallel π–π interactions, forming a three-dimensional structure [the shortest inter-centroid distance is 3.7229 (19) Å]. |
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