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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, C19H14N6O, the fused 12-membered tetrazolo/pyrimidine/pyrrole ring system is almost planar (r.m.s. deviation = 0.013 angstrom). 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)...

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Main Authors: Jotani, M.M., Shah, R.D., Tiekink, E.R.T.
Format: Article
Published: International Union of Crystallography 2010
Subjects:
QC Physics
Online Access:http://eprints.um.edu.my/14789/
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spelling my.um.eprints.147892019-01-31T04:28:43Z http://eprints.um.edu.my/14789/ 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, M.M. Shah, R.D. Tiekink, E.R.T. QC Physics In the title compound, C19H14N6O, the fused 12-membered tetrazolo/pyrimidine/pyrrole ring system is almost planar (r.m.s. deviation = 0.013 angstrom). 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)degrees, respectively]. Intramolecular C-H center dot center dot center dot 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 center dot center dot center dot pi and pi-pi [centroid-centroid separation = 3.608 (3) angstrom] interactions. International Union of Crystallography 2010 Article PeerReviewed Jotani, M.M. and Shah, R.D. and Tiekink, E.R.T. (2010) 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. Acta Crystallographica Section E: Structure Reports Online, 66 (4). O805-U2091. ISSN 1600-5368
institution Universiti Malaya
building UM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaya
content_source UM Research Repository
url_provider http://eprints.um.edu.my/
topic QC Physics
spellingShingle QC Physics
Jotani, M.M.
Shah, R.D.
Tiekink, E.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
description In the title compound, C19H14N6O, the fused 12-membered tetrazolo/pyrimidine/pyrrole ring system is almost planar (r.m.s. deviation = 0.013 angstrom). 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)degrees, respectively]. Intramolecular C-H center dot center dot center dot 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 center dot center dot center dot pi and pi-pi [centroid-centroid separation = 3.608 (3) angstrom] interactions.
format Article
author Jotani, M.M.
Shah, R.D.
Tiekink, E.R.T.
author_facet Jotani, M.M.
Shah, R.D.
Tiekink, E.R.T.
author_sort Jotani, M.M.
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_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_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_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
publisher International Union of Crystallography
publishDate 2010
url http://eprints.um.edu.my/14789/
_version_ 1643689901747601408
score 13.209306

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