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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⋯...

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Detalles Bibliográficos
Autores principales: Ali, A. Jahubar, Athimoolam, S., Bahadur, S. Asath, Raja, V. P. Alex
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
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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].
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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
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