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Crystal structure of 2-methylamino-4-(6-methyl-4-oxo-4H-chromen-3-yl)-3-nitropyrano[3,2-c]chromen-5(4H)-one with an unknown solvate
In the title compound, C(23)H(16)N(2)O(7), the mean planes of the two chromene units (r.m.s. deviations = 0.031 and 0.064 Å) are almost normal to one another with a dihedral angle of 85.59 (6)°. The central six-membered pyran ring has a distorted envelope conformation, with the methine C atom at the...
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/PMC4555399/ https://www.ncbi.nlm.nih.gov/pubmed/26396882 http://dx.doi.org/10.1107/S2056989015014413 |
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author | Raja, Rajamani Kandhasamy, Subramani Perumal, Paramasivam T. SubbiahPandi, A. |
author_facet | Raja, Rajamani Kandhasamy, Subramani Perumal, Paramasivam T. SubbiahPandi, A. |
author_sort | Raja, Rajamani |
collection | PubMed |
description | In the title compound, C(23)H(16)N(2)O(7), the mean planes of the two chromene units (r.m.s. deviations = 0.031 and 0.064 Å) are almost normal to one another with a dihedral angle of 85.59 (6)°. The central six-membered pyran ring has a distorted envelope conformation, with the methine C atom at the flap. There is an intramolecular N—H⋯O hydrogen bond, which generates 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)(6) ring motifs, forming zigzag chains along [001]. The chains are linked by a second pair of C—H⋯O hydrogen bonds, forming slabs parallel to (110). Within the slabs there are C—H⋯π interactions present. A region of disordered electron density was treated with the SQUEEZE procedure in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9–18] following unsuccessful attempts to model it as plausible solvent molecule(s). The given chemical formula and other crystal data do not take into account the unknown solvent molecule(s). |
format | Online Article Text |
id | pubmed-4555399 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45553992015-09-22 Crystal structure of 2-methylamino-4-(6-methyl-4-oxo-4H-chromen-3-yl)-3-nitropyrano[3,2-c]chromen-5(4H)-one with an unknown solvate Raja, Rajamani Kandhasamy, Subramani Perumal, Paramasivam T. SubbiahPandi, A. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(23)H(16)N(2)O(7), the mean planes of the two chromene units (r.m.s. deviations = 0.031 and 0.064 Å) are almost normal to one another with a dihedral angle of 85.59 (6)°. The central six-membered pyran ring has a distorted envelope conformation, with the methine C atom at the flap. There is an intramolecular N—H⋯O hydrogen bond, which generates 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)(6) ring motifs, forming zigzag chains along [001]. The chains are linked by a second pair of C—H⋯O hydrogen bonds, forming slabs parallel to (110). Within the slabs there are C—H⋯π interactions present. A region of disordered electron density was treated with the SQUEEZE procedure in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9–18] following unsuccessful attempts to model it as plausible solvent molecule(s). The given chemical formula and other crystal data do not take into account the unknown solvent molecule(s). International Union of Crystallography 2015-08-06 /pmc/articles/PMC4555399/ /pubmed/26396882 http://dx.doi.org/10.1107/S2056989015014413 Text en © Raja et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Data Reports Raja, Rajamani Kandhasamy, Subramani Perumal, Paramasivam T. SubbiahPandi, A. Crystal structure of 2-methylamino-4-(6-methyl-4-oxo-4H-chromen-3-yl)-3-nitropyrano[3,2-c]chromen-5(4H)-one with an unknown solvate |
title | Crystal structure of 2-methylamino-4-(6-methyl-4-oxo-4H-chromen-3-yl)-3-nitropyrano[3,2-c]chromen-5(4H)-one with an unknown solvate |
title_full | Crystal structure of 2-methylamino-4-(6-methyl-4-oxo-4H-chromen-3-yl)-3-nitropyrano[3,2-c]chromen-5(4H)-one with an unknown solvate |
title_fullStr | Crystal structure of 2-methylamino-4-(6-methyl-4-oxo-4H-chromen-3-yl)-3-nitropyrano[3,2-c]chromen-5(4H)-one with an unknown solvate |
title_full_unstemmed | Crystal structure of 2-methylamino-4-(6-methyl-4-oxo-4H-chromen-3-yl)-3-nitropyrano[3,2-c]chromen-5(4H)-one with an unknown solvate |
title_short | Crystal structure of 2-methylamino-4-(6-methyl-4-oxo-4H-chromen-3-yl)-3-nitropyrano[3,2-c]chromen-5(4H)-one with an unknown solvate |
title_sort | crystal structure of 2-methylamino-4-(6-methyl-4-oxo-4h-chromen-3-yl)-3-nitropyrano[3,2-c]chromen-5(4h)-one with an unknown solvate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4555399/ https://www.ncbi.nlm.nih.gov/pubmed/26396882 http://dx.doi.org/10.1107/S2056989015014413 |
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