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

12-(4-Chlorophenyl)-7-methyl-10-phenyl-3,4,5,6,8,10-hexaazatricyclo[7.3.0.02,6]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 Å). The chloro-substituted ring is almost effectively coplanar with the central atoms [dihedral angle = 6.74 (13)&amp...

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Main Authors: Rina D. Shah, Mukesh M. Jotani, Edward R. T. Tiekink
Format: Article
Language:English
Published: International Union of Crystallography 2010-12-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536810048373
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spelling doaj-adf93b4dd26746d591380c629bc24bdd2020-11-25T00:46:30ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-12-016612o3305o330510.1107/S160053681004837312-(4-Chlorophenyl)-7-methyl-10-phenyl-3,4,5,6,8,10-hexaazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaeneRina D. ShahMukesh M. JotaniEdward R. T. TiekinkThe 12 non-H atoms defining the triple-fused-ring system in the title compound, C19H13ClN6, are almost coplanar (r.m.s. deviation = 0.023 Å). The chloro-substituted ring is almost effectively coplanar with the central atoms [dihedral angle = 6.74 (13)°], but the N-bound benzene ring is not [dihedral angle = 54.38 (13)°]. In the crystal, supramolecular chains along the a axis sustained by C—H...π and π–π [centroid–centroid distance between N4C and C4N five-membered rings = 3.484 (2) Å] stacking occur. A very long C—Cl...π contact is also seen. http://scripts.iucr.org/cgi-bin/paper?S1600536810048373
collection DOAJ
language English
format Article
sources DOAJ
author Rina D. Shah
Mukesh M. Jotani
Edward R. T. Tiekink
spellingShingle Rina D. Shah
Mukesh M. Jotani
Edward R. T. Tiekink
12-(4-Chlorophenyl)-7-methyl-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 Rina D. Shah
Mukesh M. Jotani
Edward R. T. Tiekink
author_sort Rina D. Shah
title 12-(4-Chlorophenyl)-7-methyl-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-Chlorophenyl)-7-methyl-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-Chlorophenyl)-7-methyl-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-Chlorophenyl)-7-methyl-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-Chlorophenyl)-7-methyl-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-chlorophenyl)-7-methyl-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 2010-12-01
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 Å). The chloro-substituted ring is almost effectively coplanar with the central atoms [dihedral angle = 6.74 (13)°], but the N-bound benzene ring is not [dihedral angle = 54.38 (13)°]. In the crystal, supramolecular chains along the a axis sustained by C—H...π and π–π [centroid–centroid distance between N4C and C4N five-membered rings = 3.484 (2) Å] stacking occur. A very long C—Cl...π contact is also seen.
url http://scripts.iucr.org/cgi-bin/paper?S1600536810048373
work_keys_str_mv AT rinadshah 124chlorophenyl7methyl10phenyl3456810hexaazatricyclo730026dodeca1924711pentaene
AT mukeshmjotani 124chlorophenyl7methyl10phenyl3456810hexaazatricyclo730026dodeca1924711pentaene
AT edwardrttiekink 124chlorophenyl7methyl10phenyl3456810hexaazatricyclo730026dodeca1924711pentaene
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