Cargando…

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...

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/PMC4555399/
https://www.ncbi.nlm.nih.gov/pubmed/26396882
http://dx.doi.org/10.1107/S2056989015014413
_version_ 1782388195390914560
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
work_keys_str_mv AT rajarajamani crystalstructureof2methylamino46methyl4oxo4hchromen3yl3nitropyrano32cchromen54honewithanunknownsolvate
AT kandhasamysubramani crystalstructureof2methylamino46methyl4oxo4hchromen3yl3nitropyrano32cchromen54honewithanunknownsolvate
AT perumalparamasivamt crystalstructureof2methylamino46methyl4oxo4hchromen3yl3nitropyrano32cchromen54honewithanunknownsolvate
AT subbiahpandia crystalstructureof2methylamino46methyl4oxo4hchromen3yl3nitropyrano32cchromen54honewithanunknownsolvate