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(Z)-1-[(2E)-3,4-Diphenyl-2,3-dihydro-1,3-thiazol-2-ylidene]-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinium bromide including an unknown solvate
In the title compound, C(23)H(20)N(3)OS(+)·Br(−), the dihydrothiazole ring (r.m.s. deviation = 0.015 Å) is twisted with respect to each of the C- and N-bound phenyl rings and the hydroxybenzene ring, making dihedral angles of 76.0 (2), 71.2 (2) and 9.8 (2)°, respectively. In the crystal, invers...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051081/ https://www.ncbi.nlm.nih.gov/pubmed/24940233 http://dx.doi.org/10.1107/S1600536814010125 |
Sumario: | In the title compound, C(23)H(20)N(3)OS(+)·Br(−), the dihydrothiazole ring (r.m.s. deviation = 0.015 Å) is twisted with respect to each of the C- and N-bound phenyl rings and the hydroxybenzene ring, making dihedral angles of 76.0 (2), 71.2 (2) and 9.8 (2)°, respectively. In the crystal, inversion-related molecules are linked by association of the bromide ions with the cations via N—H⋯Br and O—H⋯Br hydrogen-bonding interactions. These molecules run in channels parallel to the a axis through face-to-face π–π stacking interactions between the hydroxybenzene rings [centroid–centroid distances = 3.785 (3) Å] which, in turn, are connected into layers parallel to (110) by weak C—H⋯π interactions. A small region of electron density well removed from the main molecule and appearing disordered over a center of symmetry was removed with PLATON SQUEEZE [Spek (2009 ▶). Acta Cryst. D65, 148–15] following unsuccessful attempts to model it as plausible solvent molecule. The nature of the solvent was not known and hence, this is not taken into account when calculating M (r) and related data. |
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