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

In the title compound, C(19)H(14)N(6)O, the fused 12-membered tetra­zolo/pyrimidine/pyrrole ring system is almost planar (r.m.s. deviation = 0.013 Å). The 4-methoxy­phenyl and phenyl substituents on the pyrrole ring are both twisted with respect to the fused-ring system [dihedral angles = 25.39 (18)...

Descripción completa

Detalles Bibliográficos
Autores principales: Jotani, Mukesh M., Shah, Rina D., 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/PMC2983952/
https://www.ncbi.nlm.nih.gov/pubmed/21580640
http://dx.doi.org/10.1107/S160053681000869X
_version_ 1782191998189436928
author Jotani, Mukesh M.
Shah, Rina D.
Tiekink, Edward R. T.
author_facet Jotani, Mukesh M.
Shah, Rina D.
Tiekink, Edward R. T.
author_sort Jotani, Mukesh M.
collection PubMed
description In the title compound, C(19)H(14)N(6)O, the fused 12-membered tetra­zolo/pyrimidine/pyrrole ring system is almost planar (r.m.s. deviation = 0.013 Å). The 4-methoxy­phenyl and phenyl substituents on the pyrrole ring are both twisted with respect to the fused-ring system [dihedral angles = 25.39 (18) and 36.42 (18)°, respectively]. Intra­molecular C—H⋯N inter­actions occur. In the crystal, mol­ecules pack into layers in the ac plane and these are connected along the b axis via C—H⋯π and π–π [centroid–centroid separation = 3.608 (3) Å] inter­actions.
format Text
id pubmed-2983952
institution National Center for Biotechnology Information
language English
publishDate 2010
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29839522010-12-30 12-(4-Methoxy­phen­yl)-10-phenyl-3,4,5,6,8,10-hexa­azatricyclo­[7.3.0.0(2,6)]dodeca-1(9),2,4,7,11-penta­ene Jotani, Mukesh M. Shah, Rina D. Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(19)H(14)N(6)O, the fused 12-membered tetra­zolo/pyrimidine/pyrrole ring system is almost planar (r.m.s. deviation = 0.013 Å). The 4-methoxy­phenyl and phenyl substituents on the pyrrole ring are both twisted with respect to the fused-ring system [dihedral angles = 25.39 (18) and 36.42 (18)°, respectively]. Intra­molecular C—H⋯N inter­actions occur. In the crystal, mol­ecules pack into layers in the ac plane and these are connected along the b axis via C—H⋯π and π–π [centroid–centroid separation = 3.608 (3) Å] inter­actions. International Union of Crystallography 2010-03-13 /pmc/articles/PMC2983952/ /pubmed/21580640 http://dx.doi.org/10.1107/S160053681000869X Text en © Jotani 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
Jotani, Mukesh M.
Shah, Rina D.
Tiekink, Edward R. T.
12-(4-Methoxy­phen­yl)-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-Methoxy­phen­yl)-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-Methoxy­phen­yl)-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-Methoxy­phen­yl)-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-Methoxy­phen­yl)-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-Methoxy­phen­yl)-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-methoxy­phen­yl)-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/PMC2983952/
https://www.ncbi.nlm.nih.gov/pubmed/21580640
http://dx.doi.org/10.1107/S160053681000869X
work_keys_str_mv AT jotanimukeshm 124methoxyphenyl10phenyl3456810hexaazatricyclo730026dodeca1924711pentaene
AT shahrinad 124methoxyphenyl10phenyl3456810hexaazatricyclo730026dodeca1924711pentaene
AT tiekinkedwardrt 124methoxyphenyl10phenyl3456810hexaazatricyclo730026dodeca1924711pentaene

Ejemplares similares