Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Raja, Rajamani, Kandhasamy, Subramani, Perumal, Paramasivam T., SubbiahPandi, A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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
_version_ 1782388197955731456
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
work_keys_str_mv AT rajarajamani crystalstructureof46bromo4oxo4hchromen3yl2methylamino3nitropyrano32cchromen54honechloroformmonosolvate
AT kandhasamysubramani crystalstructureof46bromo4oxo4hchromen3yl2methylamino3nitropyrano32cchromen54honechloroformmonosolvate
AT perumalparamasivamt crystalstructureof46bromo4oxo4hchromen3yl2methylamino3nitropyrano32cchromen54honechloroformmonosolvate
AT subbiahpandia crystalstructureof46bromo4oxo4hchromen3yl2methylamino3nitropyrano32cchromen54honechloroformmonosolvate