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2-(1H-Benzotriazol-1-yl)-1-(4-bromo-benzo-yl)ethyl 4-methyl-benzoate.

ABSTRACT: In the mol-ecule of the title compound, C(23)H(18)BrN(3)O(3), the benzotriazole mean plane makes dihedral angles of 1.26?(1) and 87.39?(1)° with the tolyl and bromophenyl benzene rings, respectively, and the dihedral angle between the benzene rings is 87.27?(1)°. In the crystal structure, mol-ecules are linked into chains along the a axis by C-H?O inter-molecular hydrogen bonds. The structure is further stabilized by C-H?? and ?-? inter-actions, with a distance of 3.700?(1)?Å between the centroids of the bromophenyl and benzotriazole benzene rings related by symmetry code (x, -1 + y, z).

SUBMITTER: Sun JL 

PROVIDER: S-EPMC2915192 | biostudies-other | 2007 Dec

REPOSITORIES: biostudies-other

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2-(1H-Benzotriazol-1-yl)-1-(4-bromo-benzo-yl)ethyl 4-methyl-benzoate.

Sun Jiu-Long JL   Wang Meng M   Zhu Ying-Jie YJ   Li Fang F   Bi Sai S  

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

In the mol-ecule of the title compound, C(23)H(18)BrN(3)O(3), the benzotriazole mean plane makes dihedral angles of 1.26 (1) and 87.39 (1)° with the tolyl and bromophenyl benzene rings, respectively, and the dihedral angle between the benzene rings is 87.27 (1)°. In the crystal structure, mol-ecules are linked into chains along the a axis by C-H⋯O inter-molecular hydrogen bonds. The structure is further stabilized by C-H⋯π and π-π inter-actions, with a distance of 3.700 (1) Å between the centroi  ...[more]

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