12-(4-Methoxyphenyl)-10-phenyl-3,4,5,6,8,10-hexaazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

12-(4-Methoxyphenyl)-10-phenyl-3,4,5,6,8,10-hexaazatricyclo[7.3.0.02,6]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 Å). The 4-methoxyphenyl and phenyl substituents on the pyrrole ring are both twisted with respect to the fused-ring system [dihedral...

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Main Authors: Mukesh M. Jotani, Rina D. Shah, Edward R. T. Tiekink
Format: Article
Language:English
Published: International Union of Crystallography 2010-04-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S160053681000869X
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spelling doaj-c47995d772f14506bcdedd53d86711092020-11-25T00:49:56ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-04-01664o805o80510.1107/S160053681000869X12-(4-Methoxyphenyl)-10-phenyl-3,4,5,6,8,10-hexaazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaeneMukesh M. JotaniRina D. ShahEdward R. T. TiekinkIn the title compound, C19H14N6O, 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. http://scripts.iucr.org/cgi-bin/paper?S160053681000869X
collection DOAJ
language English
format Article
sources DOAJ
author Mukesh M. Jotani
Rina D. Shah
Edward R. T. Tiekink
spellingShingle Mukesh M. Jotani
Rina D. Shah
Edward R. T. Tiekink
12-(4-Methoxyphenyl)-10-phenyl-3,4,5,6,8,10-hexaazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Acta Crystallographica Section E
author_facet Mukesh M. Jotani
Rina D. Shah
Edward R. T. Tiekink
author_sort Mukesh M. Jotani
title 12-(4-Methoxyphenyl)-10-phenyl-3,4,5,6,8,10-hexaazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
title_short 12-(4-Methoxyphenyl)-10-phenyl-3,4,5,6,8,10-hexaazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
title_full 12-(4-Methoxyphenyl)-10-phenyl-3,4,5,6,8,10-hexaazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
title_fullStr 12-(4-Methoxyphenyl)-10-phenyl-3,4,5,6,8,10-hexaazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
title_full_unstemmed 12-(4-Methoxyphenyl)-10-phenyl-3,4,5,6,8,10-hexaazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
title_sort 12-(4-methoxyphenyl)-10-phenyl-3,4,5,6,8,10-hexaazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2010-04-01
description In the title compound, C19H14N6O, 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.
url http://scripts.iucr.org/cgi-bin/paper?S160053681000869X
work_keys_str_mv AT mukeshmjotani 124methoxyphenyl10phenyl3456810hexaazatricyclo730026dodeca1924711pentaene
AT rinadshah 124methoxyphenyl10phenyl3456810hexaazatricyclo730026dodeca1924711pentaene
AT edwardrttiekink 124methoxyphenyl10phenyl3456810hexaazatricyclo730026dodeca1924711pentaene
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