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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International Union of Crystallography
2010
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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 |
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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 |