Cargando…
2,6-Bis(2-chlorophenyl)-4-oxo-3,5-diphenylheptane-1,1,7,7-tetracarbonitrile
In the title compound, C(35)H(24)Cl(2)N(4)O, the phenyl rings are oriented almost parallel to each other, making a dihedral angle of 0.6 (2)°, whereas the chlorophenyl rings are oriented at a dihedral angle of 28.3 (1)°. The crystal structure is stabilized through an extensive series of C—H⋯N, C—H⋯...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120456/ https://www.ncbi.nlm.nih.gov/pubmed/21754791 http://dx.doi.org/10.1107/S1600536811017284 |
_version_ | 1782206683463811072 |
---|---|
author | Ali, A. Jahubar Athimoolam, S. Bahadur, S. Asath Raja, V. P. Alex |
author_facet | Ali, A. Jahubar Athimoolam, S. Bahadur, S. Asath Raja, V. P. Alex |
author_sort | Ali, A. Jahubar |
collection | PubMed |
description | In the title compound, C(35)H(24)Cl(2)N(4)O, the phenyl rings are oriented almost parallel to each other, making a dihedral angle of 0.6 (2)°, whereas the chlorophenyl rings are oriented at a dihedral angle of 28.3 (1)°. The crystal structure is stabilized through an extensive series of C—H⋯N, C—H⋯O and C—H⋯Cl interactions. One of the C—H⋯N interactions generates an R (2) (2)(12) ring motif around a crystallographic inversion centre. C(5), C(10) and C(12) chain motifs are observed in the unit cell through C—H⋯N and C—H⋯Cl interactions. During the structure analysis, it was observed that the unit cell contains large accessible voids, which host disordered solvent molecules. This affects the diffraction pattern, mostly at low scattering angles and was corrected with the SQUEEZE program [Spek, A. L. (2009 ▶). Acta Cryst. D65, 148–155]. |
format | Online Article Text |
id | pubmed-3120456 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-31204562011-07-13 2,6-Bis(2-chlorophenyl)-4-oxo-3,5-diphenylheptane-1,1,7,7-tetracarbonitrile Ali, A. Jahubar Athimoolam, S. Bahadur, S. Asath Raja, V. P. Alex Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(35)H(24)Cl(2)N(4)O, the phenyl rings are oriented almost parallel to each other, making a dihedral angle of 0.6 (2)°, whereas the chlorophenyl rings are oriented at a dihedral angle of 28.3 (1)°. The crystal structure is stabilized through an extensive series of C—H⋯N, C—H⋯O and C—H⋯Cl interactions. One of the C—H⋯N interactions generates an R (2) (2)(12) ring motif around a crystallographic inversion centre. C(5), C(10) and C(12) chain motifs are observed in the unit cell through C—H⋯N and C—H⋯Cl interactions. During the structure analysis, it was observed that the unit cell contains large accessible voids, which host disordered solvent molecules. This affects the diffraction pattern, mostly at low scattering angles and was corrected with the SQUEEZE program [Spek, A. L. (2009 ▶). Acta Cryst. D65, 148–155]. International Union of Crystallography 2011-05-14 /pmc/articles/PMC3120456/ /pubmed/21754791 http://dx.doi.org/10.1107/S1600536811017284 Text en © Ali et al. 2011 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 Ali, A. Jahubar Athimoolam, S. Bahadur, S. Asath Raja, V. P. Alex 2,6-Bis(2-chlorophenyl)-4-oxo-3,5-diphenylheptane-1,1,7,7-tetracarbonitrile |
title | 2,6-Bis(2-chlorophenyl)-4-oxo-3,5-diphenylheptane-1,1,7,7-tetracarbonitrile |
title_full | 2,6-Bis(2-chlorophenyl)-4-oxo-3,5-diphenylheptane-1,1,7,7-tetracarbonitrile |
title_fullStr | 2,6-Bis(2-chlorophenyl)-4-oxo-3,5-diphenylheptane-1,1,7,7-tetracarbonitrile |
title_full_unstemmed | 2,6-Bis(2-chlorophenyl)-4-oxo-3,5-diphenylheptane-1,1,7,7-tetracarbonitrile |
title_short | 2,6-Bis(2-chlorophenyl)-4-oxo-3,5-diphenylheptane-1,1,7,7-tetracarbonitrile |
title_sort | 2,6-bis(2-chlorophenyl)-4-oxo-3,5-diphenylheptane-1,1,7,7-tetracarbonitrile |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120456/ https://www.ncbi.nlm.nih.gov/pubmed/21754791 http://dx.doi.org/10.1107/S1600536811017284 |
work_keys_str_mv | AT aliajahubar 26bis2chlorophenyl4oxo35diphenylheptane1177tetracarbonitrile AT athimoolams 26bis2chlorophenyl4oxo35diphenylheptane1177tetracarbonitrile AT bahadursasath 26bis2chlorophenyl4oxo35diphenylheptane1177tetracarbonitrile AT rajavpalex 26bis2chlorophenyl4oxo35diphenylheptane1177tetracarbonitrile |