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(Z)-1-[(2E)-3,4-Diphenyl-2,3-di-hydro-1,3-thia-zol-2-yl-idene]-2-[1-(4-hy-droxy-phen-yl)ethyl-idene]hydrazinium bromide including an unknown solvate.


ABSTRACT: In the title compound, C23H20N3OS(+)·Br(-), the di-hydro-thia-zole ring (r.m.s. deviation = 0.015?Å) is twisted with respect to each of the C- and N-bound phenyl rings and the hy-droxy-benzene ring, making dihedral angles of 76.0?(2), 71.2?(2) and 9.8?(2)°, respectively. In the crystal, inversion-related mol-ecules are linked by association of the bromide ions with the cations via N-H?Br and O-H?Br hydrogen-bonding inter-actions. These mol-ecules run in channels parallel to the a axis through face-to-face ?-? stacking inter-actions between the hy-droxy-benzene rings [centroid-centroid distances = 3.785?(3)?Å] which, in turn, are connected into layers parallel to (110) by weak C-H?? inter-actions. A small region of electron density well removed from the main mol-ecule 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.

SUBMITTER: Mague JT 

PROVIDER: S-EPMC4051081 | BioStudies | 2014-01-01T00:00:00Z

REPOSITORIES: biostudies

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