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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, C19H13ClN6, are almost coplanar (r.m.s. deviation = 0.023 angstrom). The chloro-substituted ring is almost effectively coplanar with the central atoms [dihedral angle = 6.74 (13)degrees], but the N-bound benzene ring is...

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Main Authors: Shah, R.D., Jotani, M.M., Tiekink, E.R.T.
Format: Article
Published: International Union of Crystallography 2010
Subjects:
Q Science (General)
Online Access:http://eprints.um.edu.my/11709/
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spelling my.um.eprints.117092019-01-31T05:03:17Z http://eprints.um.edu.my/11709/ 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, R.D. Jotani, M.M. Tiekink, E.R.T. Q Science (General) The 12 non-H atoms defining the triple-fused-ring system in the title compound, C19H13ClN6, are almost coplanar (r.m.s. deviation = 0.023 angstrom). The chloro-substituted ring is almost effectively coplanar with the central atoms [dihedral angle = 6.74 (13)degrees], but the N-bound benzene ring is not [dihedral angle = 54.38 (13)degrees]. In the crystal, supramolecular chains along the a axis sustained by C-H center dot center dot center dot pi and pi-pi [centroid-centroid distance between N4C and C4N five-membered rings = 3.484 (2) angstrom] stacking occur. A very long C-Cl center dot center dot center dot pi contact is also seen. International Union of Crystallography 2010 Article PeerReviewed Shah, R.D. and Jotani, M.M. and Tiekink, E.R.T. (2010) 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. Acta Crystallographica Section E: Structure Reports Online, 66 (12). O3305-U1872. 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 Q Science (General)
spellingShingle Q Science (General)
Shah, R.D.
Jotani, M.M.
Tiekink, E.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
description The 12 non-H atoms defining the triple-fused-ring system in the title compound, C19H13ClN6, are almost coplanar (r.m.s. deviation = 0.023 angstrom). The chloro-substituted ring is almost effectively coplanar with the central atoms [dihedral angle = 6.74 (13)degrees], but the N-bound benzene ring is not [dihedral angle = 54.38 (13)degrees]. In the crystal, supramolecular chains along the a axis sustained by C-H center dot center dot center dot pi and pi-pi [centroid-centroid distance between N4C and C4N five-membered rings = 3.484 (2) angstrom] stacking occur. A very long C-Cl center dot center dot center dot pi contact is also seen.
format Article
author Shah, R.D.
Jotani, M.M.
Tiekink, E.R.T.
author_facet Shah, R.D.
Jotani, M.M.
Tiekink, E.R.T.
author_sort Shah, R.D.
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_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_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_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
publisher International Union of Crystallography
publishDate 2010
url http://eprints.um.edu.my/11709/
_version_ 1643689121835646976
score 13.211869

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