Cargando…

(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...

Descripción completa

Detalles Bibliográficos
Autores principales: Mague, Joel T., Mohamed, Shaaban K., Akkurt, Mehmet, Hassan, Alaa A., Albayati, Mustafa R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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
_version_ 1782320055085694976
author Mague, Joel T.
Mohamed, Shaaban K.
Akkurt, Mehmet
Hassan, Alaa A.
Albayati, Mustafa R.
author_facet Mague, Joel T.
Mohamed, Shaaban K.
Akkurt, Mehmet
Hassan, Alaa A.
Albayati, Mustafa R.
author_sort Mague, Joel T.
collection PubMed
description 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.
format Online
Article
Text
id pubmed-4051081
institution National Center for Biotechnology Information
language English
publishDate 2014
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-40510812014-06-17 (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 Mague, Joel T. Mohamed, Shaaban K. Akkurt, Mehmet Hassan, Alaa A. Albayati, Mustafa R. Acta Crystallogr Sect E Struct Rep Online Organic Papers 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. International Union of Crystallography 2014-05-10 /pmc/articles/PMC4051081/ /pubmed/24940233 http://dx.doi.org/10.1107/S1600536814010125 Text en © Mague et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Mague, Joel T.
Mohamed, Shaaban K.
Akkurt, Mehmet
Hassan, Alaa A.
Albayati, Mustafa R.
(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
title (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
title_full (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
title_fullStr (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
title_full_unstemmed (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
title_short (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
title_sort (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
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051081/
https://www.ncbi.nlm.nih.gov/pubmed/24940233
http://dx.doi.org/10.1107/S1600536814010125
work_keys_str_mv AT maguejoelt z12e34diphenyl23dihydro13thiazol2ylidene214hydroxyphenylethylidenehydraziniumbromideincludinganunknownsolvate
AT mohamedshaabank z12e34diphenyl23dihydro13thiazol2ylidene214hydroxyphenylethylidenehydraziniumbromideincludinganunknownsolvate
AT akkurtmehmet z12e34diphenyl23dihydro13thiazol2ylidene214hydroxyphenylethylidenehydraziniumbromideincludinganunknownsolvate
AT hassanalaaa z12e34diphenyl23dihydro13thiazol2ylidene214hydroxyphenylethylidenehydraziniumbromideincludinganunknownsolvate
AT albayatimustafar z12e34diphenyl23dihydro13thiazol2ylidene214hydroxyphenylethylidenehydraziniumbromideincludinganunknownsolvate