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

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

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 triaz...

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Crystal Structures of Two 1,4-Diamino-1,2,4-triazolium Salts

Bis(1,4-diamino-1,2,4-triazolium) sulfate (1) was obtained from the corresponding chloride by ion metathesis using Ag2SO4. Further metathesis with barium 5,51-azotetrazolate yielded bis(1,4-diamino-1,2,4-triazolium) 5,51-azotetrazolate (2). Numerous NH ̈ ̈ ̈N and NH ̈ ̈ ̈O interactions were identified in the crystal structures of 1 and 2. Both compounds undergo exothermal decomposition upon heating.

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3-Phenyl-N,N,N′,N′-tetra­methyl-1-ethyne-1-carboximidamidium bromide

The reaction of 3,3,3-tris-(dimethyl-amino)-1-phenyl-prop-1-yne with bromine in pentane yields the title compound, C(13)H(17)N(2) (+)·Br(-). The acetyl-enic bond distance [1.197 (2) Å] is consistent with a C C triple bond. The amidinium C=N bonds [1.325 (2) and 1.330 (2) Å] have double-bond character and the positive charge is delocalized between the two dimethyl-amino groups.

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(1R,3R,3aS,8aR)-4-Oxo-3-phenyl-1-[(1R)-1-phenyl­eth­yl]deca­hydro­cyclo­hepta­[b]pyrrol-1-ium bromide

The title chiral compound, C(23)H(28)NO(+)·Br(-), was obtained from an optically active amino-ethanol precursor. The pyrrolidine heterocycle has an envelope conformation, with the C atom α-positioned with respect to the keto group deviating by 0.570 (6) Å from the mean plane of other atoms. The trans-fused seven-membered ring adopts a pseudo-chair conformation. The two phenyl rings form a dihed...

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Percolation models have proven highly successful in the simulation of multifragmentation reactions in the past @1,2#. Within these models, fragmentation is described by first distributing a set of points or sites, each representing a nucleon, on a three-dimensional lattice, which represents the bonds between the sites. In the case of a simple rectangular lattice, each site is connected to six n...

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ژورنال

عنوان ژورنال: Acta Crystallographica Section E Structure Reports Online

سال: 2010

ISSN: 1600-5368

DOI: 10.1107/s1600536810021318