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⋯π inter-actions are observed in the crystal.
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http://dx.doi.org/10.1107/S1600536812033661 | DOI Listing |
Acta Crystallogr E Crystallogr Commun
July 2020
Nizhny Novgorod State Technical University n.a. R.E. Alekseev, Nizhny Novgorod, Russian Federation.
In the crystal of the title compound, CHFNS, the mol-ecules are non-planar, with dihedral angle formed by least-squares planes of tetra-zole and benzene rings of 59.94 (8) °. The crystal packing is formed by N-H⋯S hydrogen bonds, which link the mol-ecules into centrosymmetric dimers with an (8) ring motif, and by the offset face-to-face π-π stacking inter-actions between the benzene rings, which join the dimers into layers parallel to (100).
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
September 2019
Faculty of Chemistry, Ivan Franko National University of Lviv, Kyryla i Mefodia Str, 6, 79005 L'viv, Ukraine.
Acta Crystallogr E Crystallogr Commun
April 2018
Lawrence Livermore National Laboratory, 7000 East Ave, Mail Stop L-282, Livermore, CA 94550, USA.
In energetic materials, the crystal density is an important parameter that affects the performance of the material. When making ionic energetic materials, the choice of counter-ion can have detrimental or beneficial effects on the packing, and therefore the density, of the resulting energetic crystal. Presented herein are a series of five ionic energetic crystals, all containing the dianion 5,5'-(3,3'-bi[1,2,4-oxa-diazole]-5,5'-di-yl)bis-(1-tetra-zol-1-olate), with the following cations: hydrazinium () (2NH·CNO), hydroxyl-ammonium () 2NHO·CNO [Pagoria (2017).
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
December 2017
Department of Chemistry, Chonnam National University, Gwangju, 61186, Republic of Korea.
The title compound, CHNO, was synthesized by the esterification of hy-droxy-phenyl tetra-zole. There is an intra-molecular O-H⋯N hydrogen bond present involving the hy-droxy group and the tetra-zole ring. The tetra-zole ring is inclined to the phenol ring by 2.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
October 2017
Departamento de Química Inorgánica, Facultade de Química, Instituto de Investigación Sanitaria Galicia Sur - Universidade de Vigo, Campus Universitario, E-36310 Vigo, Galicia, Spain.
The synthesis and crystal structure of a monoclinic (2/) polymorph of the title compound, CHSN, are reported. The mol-ecule has pseudo-twofold rotational symmetry, with the tetra-zole rings being inclined to one another by 5.50 (6)°.
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