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2,3,5-Triphenyl-2H-tetra-zol-3-ium iodide.

ABSTRACT: The asymmetric unit of the title mol-ecular salt, C(19)H(15)N(4) (+)·I(-), contains four 2,3,5-triphenyl-2H-tetra-zol-3-ium cations and five iodide anions, with two of the latter lying on crystallographic inversion centres. In each cation, the tetra-zole ring is essentially planar (r.m.s. deviations = 0.004-0.007?Å). The dihedral angles between the tetra-zole ring and its three attached benzene rings in the four independent cations are: 12.9?(4), 67.0?(4), 48.1?(4); 20.8?(4), 51.1?(4), 62.3?(4); 11.4?(4), 52.3?(4), 47.3?(4) and 6.0?(4), 85.7?(4), 43.5?(4)°. A C-H?I hydrogen bond and C-H?? inter-actions are observed in the crystal.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3435649 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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2,3,5-Triphenyl-2H-tetra-zol-3-ium iodide.

Fun Hoong-Kun HK   Chia Tze Shyang TS   Mostafa Gamal A E GA   Abunassif Mohamed M MM   Abdel-Aziz Hatem A HA  

Acta crystallographica. Section E, Structure reports online 20120801 Pt 9

The asymmetric unit of the title mol-ecular salt, C(19)H(15)N(4) (+)·I(-), contains four 2,3,5-triphenyl-2H-tetra-zol-3-ium cations and five iodide anions, with two of the latter lying on crystallographic inversion centres. In each cation, the tetra-zole ring is essentially planar (r.m.s. deviations = 0.004-0.007 Å). The dihedral angles between the tetra-zole ring and its three attached benzene rings in the four independent cations are: 12.9 (4), 67.0 (4), 48.1 (4); 20.8 (4), 51.1 (4), 62.3 (4);  ...[more]

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