3-Methyl­benzo[1,2-c:5,4-c′]dichromen-6(8H)-one

The title compound, C(21)H(14)O(3), crystallizes with eight independent mol­ecules (A–H) in the asymmetric unit which are arranged in four groups of two mol­ecules each (AB, CD, EF and GH). In each mol­ecule, the pyran-2-one ring is planar (r.m.s. deviations vary from 0.001 to 0.017 Å), while the py...

Descripción completa

Detalles Bibliográficos
Autores principales: Kayalvizhi, M., Vasuki, G., Khatri, Adil I., Samant, Shriniwas D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158523/
https://www.ncbi.nlm.nih.gov/pubmed/25249891
http://dx.doi.org/10.1107/S1600536814015001
_version_ 1782334065821614080
author Kayalvizhi, M.
Vasuki, G.
Khatri, Adil I.
Samant, Shriniwas D.
author_facet Kayalvizhi, M.
Vasuki, G.
Khatri, Adil I.
Samant, Shriniwas D.
author_sort Kayalvizhi, M.
collection PubMed
description The title compound, C(21)H(14)O(3), crystallizes with eight independent mol­ecules (A–H) in the asymmetric unit which are arranged in four groups of two mol­ecules each (AB, CD, EF and GH). In each mol­ecule, the pyran-2-one ring is planar (r.m.s. deviations vary from 0.001 to 0.017 Å), while the pyran ring has a screw-boat conformation. In the crystal, mol­ecules stack in two columns, along the [10-1] direction, composed of mol­ecules C, B, E and G, and D, A, F and H. Mol­ecules A and F are linked via C—H⋯O hydrogen bonds. In addition, there are a number of C—H⋯π contacts present involving all of the mol­ecules. These inter­actions result in the formation of a three-dimensional network.
format Online
Article
Text
id pubmed-4158523
institution National Center for Biotechnology Information
language English
publishDate 2014
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-41585232014-09-23 3-Methyl­benzo[1,2-c:5,4-c′]dichromen-6(8H)-one Kayalvizhi, M. Vasuki, G. Khatri, Adil I. Samant, Shriniwas D. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(21)H(14)O(3), crystallizes with eight independent mol­ecules (A–H) in the asymmetric unit which are arranged in four groups of two mol­ecules each (AB, CD, EF and GH). In each mol­ecule, the pyran-2-one ring is planar (r.m.s. deviations vary from 0.001 to 0.017 Å), while the pyran ring has a screw-boat conformation. In the crystal, mol­ecules stack in two columns, along the [10-1] direction, composed of mol­ecules C, B, E and G, and D, A, F and H. Mol­ecules A and F are linked via C—H⋯O hydrogen bonds. In addition, there are a number of C—H⋯π contacts present involving all of the mol­ecules. These inter­actions result in the formation of a three-dimensional network. International Union of Crystallography 2014-07-02 /pmc/articles/PMC4158523/ /pubmed/25249891 http://dx.doi.org/10.1107/S1600536814015001 Text en © Kayalvizhi et al. 2014 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 Organic Papers
Kayalvizhi, M.
Vasuki, G.
Khatri, Adil I.
Samant, Shriniwas D.
3-Methyl­benzo[1,2-c:5,4-c′]dichromen-6(8H)-one
title 3-Methyl­benzo[1,2-c:5,4-c′]dichromen-6(8H)-one
title_full 3-Methyl­benzo[1,2-c:5,4-c′]dichromen-6(8H)-one
title_fullStr 3-Methyl­benzo[1,2-c:5,4-c′]dichromen-6(8H)-one
title_full_unstemmed 3-Methyl­benzo[1,2-c:5,4-c′]dichromen-6(8H)-one
title_short 3-Methyl­benzo[1,2-c:5,4-c′]dichromen-6(8H)-one
title_sort 3-methyl­benzo[1,2-c:5,4-c′]dichromen-6(8h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158523/
https://www.ncbi.nlm.nih.gov/pubmed/25249891
http://dx.doi.org/10.1107/S1600536814015001
work_keys_str_mv AT kayalvizhim 3methylbenzo12c54cdichromen68hone
AT vasukig 3methylbenzo12c54cdichromen68hone
AT khatriadili 3methylbenzo12c54cdichromen68hone
AT samantshriniwasd 3methylbenzo12c54cdichromen68hone

Ejemplares similares