12-(4-Chloro­phen­yl)-7-methyl-10-phenyl-3,4,5,6,8,10-hexa­aza­tricyclo­[7.3.0.0(2,6)]dodeca-1(9),2,4,7,11-penta­ene

The 12 non-H atoms defining the triple-fused-ring system in the title compound, C(19)H(13)ClN(6), are almost coplanar (r.m.s. deviation = 0.023 Å). The chloro-substituted ring is almost effectively coplanar with the central atoms [dihedral angle = 6.74 (13)°], but the N-bound benzene ring is not [di...

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Detalles Bibliográficos
Autores principales: Shah, Rina D., Jotani, Mukesh M., Tiekink, Edward R. T.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011633/
https://www.ncbi.nlm.nih.gov/pubmed/21589583
http://dx.doi.org/10.1107/S1600536810048373
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author Shah, Rina D.
Jotani, Mukesh M.
Tiekink, Edward R. T.
author_facet Shah, Rina D.
Jotani, Mukesh M.
Tiekink, Edward R. T.
author_sort Shah, Rina D.
collection PubMed
description The 12 non-H atoms defining the triple-fused-ring system in the title compound, C(19)H(13)ClN(6), are almost coplanar (r.m.s. deviation = 0.023 Å). The chloro-substituted ring is almost effectively coplanar with the central atoms [dihedral angle = 6.74 (13)°], but the N-bound benzene ring is not [dihedral angle = 54.38 (13)°]. In the crystal, supra­molecular chains along the a axis sustained by C—H⋯π and π–π [centroid–centroid distance between N(4)C and C(4)N five-membered rings = 3.484 (2) Å] stacking occur. A very long C—Cl⋯π contact is also seen.
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spelling pubmed-30116332010-12-30 12-(4-Chloro­phen­yl)-7-methyl-10-phenyl-3,4,5,6,8,10-hexa­aza­tricyclo­[7.3.0.0(2,6)]dodeca-1(9),2,4,7,11-penta­ene Shah, Rina D. Jotani, Mukesh M. Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers The 12 non-H atoms defining the triple-fused-ring system in the title compound, C(19)H(13)ClN(6), are almost coplanar (r.m.s. deviation = 0.023 Å). The chloro-substituted ring is almost effectively coplanar with the central atoms [dihedral angle = 6.74 (13)°], but the N-bound benzene ring is not [dihedral angle = 54.38 (13)°]. In the crystal, supra­molecular chains along the a axis sustained by C—H⋯π and π–π [centroid–centroid distance between N(4)C and C(4)N five-membered rings = 3.484 (2) Å] stacking occur. A very long C—Cl⋯π contact is also seen. International Union of Crystallography 2010-11-27 /pmc/articles/PMC3011633/ /pubmed/21589583 http://dx.doi.org/10.1107/S1600536810048373 Text en © Shah et al. 2010 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
Shah, Rina D.
Jotani, Mukesh M.
Tiekink, Edward R. T.
12-(4-Chloro­phen­yl)-7-methyl-10-phenyl-3,4,5,6,8,10-hexa­aza­tricyclo­[7.3.0.0(2,6)]dodeca-1(9),2,4,7,11-penta­ene
title 12-(4-Chloro­phen­yl)-7-methyl-10-phenyl-3,4,5,6,8,10-hexa­aza­tricyclo­[7.3.0.0(2,6)]dodeca-1(9),2,4,7,11-penta­ene
title_full 12-(4-Chloro­phen­yl)-7-methyl-10-phenyl-3,4,5,6,8,10-hexa­aza­tricyclo­[7.3.0.0(2,6)]dodeca-1(9),2,4,7,11-penta­ene
title_fullStr 12-(4-Chloro­phen­yl)-7-methyl-10-phenyl-3,4,5,6,8,10-hexa­aza­tricyclo­[7.3.0.0(2,6)]dodeca-1(9),2,4,7,11-penta­ene
title_full_unstemmed 12-(4-Chloro­phen­yl)-7-methyl-10-phenyl-3,4,5,6,8,10-hexa­aza­tricyclo­[7.3.0.0(2,6)]dodeca-1(9),2,4,7,11-penta­ene
title_short 12-(4-Chloro­phen­yl)-7-methyl-10-phenyl-3,4,5,6,8,10-hexa­aza­tricyclo­[7.3.0.0(2,6)]dodeca-1(9),2,4,7,11-penta­ene
title_sort 12-(4-chloro­phen­yl)-7-methyl-10-phenyl-3,4,5,6,8,10-hexa­aza­tricyclo­[7.3.0.0(2,6)]dodeca-1(9),2,4,7,11-penta­ene
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011633/
https://www.ncbi.nlm.nih.gov/pubmed/21589583
http://dx.doi.org/10.1107/S1600536810048373
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AT tiekinkedwardrt 124chlorophenyl7methyl10phenyl3456810hexaazatricyclo730026dodeca1924711pentaene

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