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3,5-Diamino-1-phenyl-1,2,4-triazolium bromide.

ABSTRACT: The title salt, C(8)H(10)N(5) (+)·Br(-), crystallizes with two independent structural units in the asymmetric unit. The two independent cations have different conformations, the triazole and phenyl rings forming dihedral angles of 32.57?(6) and 52.27?(7)°. In both cations, the amino groups are planar (the sum of the angles at the N atom of each amino group is 360°) and conjugated with the triazole ring. Inter-molecular N-H?N and N-H?Br hydrogen bonds consolidate the crystal packing.

SUBMITTER: Chernyshev VM 

PROVIDER: S-EPMC3006877 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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3,5-Diamino-1-phenyl-1,2,4-triazolium bromide.

Chernyshev V M VM   Astakhov A V AV   Ivanov V V VV   Starikova Z A ZA  

Acta crystallographica. Section E, Structure reports online 20100616 Pt 7

The title salt, C(8)H(10)N(5) (+)·Br(-), crystallizes with two independent structural units in the asymmetric unit. The two independent cations have different conformations, the triazole and phenyl rings forming dihedral angles of 32.57 (6) and 52.27 (7)°. In both cations, the amino groups are planar (the sum of the angles at the N atom of each amino group is 360°) and conjugated with the triazole ring. Inter-molecular N-H⋯N and N-H⋯Br hydrogen bonds consolidate the crystal packing. ...[more]

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