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Crystal structure of 4-(6-bromo-4-oxo-4H-chromen-3-yl)-2-methylamino-3-nitropyrano[3,2-c]chromen-5(4H)-one chloroform monosolvate
In the title compound, C(22)H(13)BrN(2)O(7)·CHCl(3), the pyran ring adopts a shallow sofa conformation with the C atom bearing the bromochromene system as the flap [deviation = 0.291 (3) Å]. The dihedral angle between the pyran fused-ring system (all atoms; r.m.s. deviation = 0.032 Å) and the bromo...
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/PMC4555410/ https://www.ncbi.nlm.nih.gov/pubmed/26396884 http://dx.doi.org/10.1107/S2056989015014553 |
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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(22)H(13)BrN(2)O(7)·CHCl(3), the pyran ring adopts a shallow sofa conformation with the C atom bearing the bromochromene system as the flap [deviation = 0.291 (3) Å]. The dihedral angle between the pyran fused-ring system (all atoms; r.m.s. deviation = 0.032 Å) and the bromochromene ring system (r.m.s. deviation = 0.027 Å) is 87.56 (9)°. An intramolecular N—H⋯O hydrogen bond closes an S(6) ring. The Cl atoms of the solvent molecule are disordered over two sets of sites in a 0.515 (6):0.485 (6) ratio. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R (2) (2)(12) loops. The packing also features C—H⋯O and very weak π–π [centroid–centroid separation = 3.960 (2) Å] interactions, which link the dimers into a three-dimensional network. |
format | Online Article Text |
id | pubmed-4555410 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45554102015-09-22 Crystal structure of 4-(6-bromo-4-oxo-4H-chromen-3-yl)-2-methylamino-3-nitropyrano[3,2-c]chromen-5(4H)-one chloroform monosolvate Raja, Rajamani Kandhasamy, Subramani Perumal, Paramasivam T. SubbiahPandi, A. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(22)H(13)BrN(2)O(7)·CHCl(3), the pyran ring adopts a shallow sofa conformation with the C atom bearing the bromochromene system as the flap [deviation = 0.291 (3) Å]. The dihedral angle between the pyran fused-ring system (all atoms; r.m.s. deviation = 0.032 Å) and the bromochromene ring system (r.m.s. deviation = 0.027 Å) is 87.56 (9)°. An intramolecular N—H⋯O hydrogen bond closes an S(6) ring. The Cl atoms of the solvent molecule are disordered over two sets of sites in a 0.515 (6):0.485 (6) ratio. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R (2) (2)(12) loops. The packing also features C—H⋯O and very weak π–π [centroid–centroid separation = 3.960 (2) Å] interactions, which link the dimers into a three-dimensional network. International Union of Crystallography 2015-08-06 /pmc/articles/PMC4555410/ /pubmed/26396884 http://dx.doi.org/10.1107/S2056989015014553 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 4-(6-bromo-4-oxo-4H-chromen-3-yl)-2-methylamino-3-nitropyrano[3,2-c]chromen-5(4H)-one chloroform monosolvate |
title | Crystal structure of 4-(6-bromo-4-oxo-4H-chromen-3-yl)-2-methylamino-3-nitropyrano[3,2-c]chromen-5(4H)-one chloroform monosolvate |
title_full | Crystal structure of 4-(6-bromo-4-oxo-4H-chromen-3-yl)-2-methylamino-3-nitropyrano[3,2-c]chromen-5(4H)-one chloroform monosolvate |
title_fullStr | Crystal structure of 4-(6-bromo-4-oxo-4H-chromen-3-yl)-2-methylamino-3-nitropyrano[3,2-c]chromen-5(4H)-one chloroform monosolvate |
title_full_unstemmed | Crystal structure of 4-(6-bromo-4-oxo-4H-chromen-3-yl)-2-methylamino-3-nitropyrano[3,2-c]chromen-5(4H)-one chloroform monosolvate |
title_short | Crystal structure of 4-(6-bromo-4-oxo-4H-chromen-3-yl)-2-methylamino-3-nitropyrano[3,2-c]chromen-5(4H)-one chloroform monosolvate |
title_sort | crystal structure of 4-(6-bromo-4-oxo-4h-chromen-3-yl)-2-methylamino-3-nitropyrano[3,2-c]chromen-5(4h)-one chloroform monosolvate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4555410/ https://www.ncbi.nlm.nih.gov/pubmed/26396884 http://dx.doi.org/10.1107/S2056989015014553 |
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