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Crystal structure of [(E)-({2-[3-(2-{(1E)-[(carbamo­thioyl­amino)­imino]­meth­yl}phen­oxy)prop­oxy]phen­yl}methyl­idene)amino]­thio­urea with an unknown solvate

The title mol­ecule, C(19)H(22)N(6)O(2)S(2), has crystallographically imposed C (2) symmetry, with the central C atom lying on the rotation axis. The O—C—C—C torsion angle for the central chain is −59.22 (16)° and the dihedral angle between the planes of the benzene rings is 75.20 (7)°. In the cryst...

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Autores principales: Mague, Joel T., Mohamed, Shaaban K., Akkurt, Mehmet, Younes, Sabry H. H., Albayati, Mustafa R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518929/
https://www.ncbi.nlm.nih.gov/pubmed/26279946
http://dx.doi.org/10.1107/S2056989015012074
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author Mague, Joel T.
Mohamed, Shaaban K.
Akkurt, Mehmet
Younes, Sabry H. H.
Albayati, Mustafa R.
author_facet Mague, Joel T.
Mohamed, Shaaban K.
Akkurt, Mehmet
Younes, Sabry H. H.
Albayati, Mustafa R.
author_sort Mague, Joel T.
collection PubMed
description The title mol­ecule, C(19)H(22)N(6)O(2)S(2), has crystallographically imposed C (2) symmetry, with the central C atom lying on the rotation axis. The O—C—C—C torsion angle for the central chain is −59.22 (16)° and the dihedral angle between the planes of the benzene rings is 75.20 (7)°. In the crystal, N—H⋯O and N—H⋯S inter­actions link the mol­ecules, forming a three-dimensional network encompassing channels running parallel to the c axis, which account for about 20% of the unit-cell volume. The contribution to the scattering from the highly disordered solvent mol­ecules in these channels was removed with the SQUEEZE routine [Spek (2015). Acta Cryst. C71, 9–18] in PLATON. The stated crystal data for M (r), μ etc. do not take these into account.
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spelling pubmed-45189292015-08-14 Crystal structure of [(E)-({2-[3-(2-{(1E)-[(carbamo­thioyl­amino)­imino]­meth­yl}phen­oxy)prop­oxy]phen­yl}methyl­idene)amino]­thio­urea with an unknown solvate Mague, Joel T. Mohamed, Shaaban K. Akkurt, Mehmet Younes, Sabry H. H. Albayati, Mustafa R. Acta Crystallogr E Crystallogr Commun Data Reports The title mol­ecule, C(19)H(22)N(6)O(2)S(2), has crystallographically imposed C (2) symmetry, with the central C atom lying on the rotation axis. The O—C—C—C torsion angle for the central chain is −59.22 (16)° and the dihedral angle between the planes of the benzene rings is 75.20 (7)°. In the crystal, N—H⋯O and N—H⋯S inter­actions link the mol­ecules, forming a three-dimensional network encompassing channels running parallel to the c axis, which account for about 20% of the unit-cell volume. The contribution to the scattering from the highly disordered solvent mol­ecules in these channels was removed with the SQUEEZE routine [Spek (2015). Acta Cryst. C71, 9–18] in PLATON. The stated crystal data for M (r), μ etc. do not take these into account. International Union of Crystallography 2015-06-30 /pmc/articles/PMC4518929/ /pubmed/26279946 http://dx.doi.org/10.1107/S2056989015012074 Text en © Mague et al. 2015 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 Data Reports
Mague, Joel T.
Mohamed, Shaaban K.
Akkurt, Mehmet
Younes, Sabry H. H.
Albayati, Mustafa R.
Crystal structure of [(E)-({2-[3-(2-{(1E)-[(carbamo­thioyl­amino)­imino]­meth­yl}phen­oxy)prop­oxy]phen­yl}methyl­idene)amino]­thio­urea with an unknown solvate
title Crystal structure of [(E)-({2-[3-(2-{(1E)-[(carbamo­thioyl­amino)­imino]­meth­yl}phen­oxy)prop­oxy]phen­yl}methyl­idene)amino]­thio­urea with an unknown solvate
title_full Crystal structure of [(E)-({2-[3-(2-{(1E)-[(carbamo­thioyl­amino)­imino]­meth­yl}phen­oxy)prop­oxy]phen­yl}methyl­idene)amino]­thio­urea with an unknown solvate
title_fullStr Crystal structure of [(E)-({2-[3-(2-{(1E)-[(carbamo­thioyl­amino)­imino]­meth­yl}phen­oxy)prop­oxy]phen­yl}methyl­idene)amino]­thio­urea with an unknown solvate
title_full_unstemmed Crystal structure of [(E)-({2-[3-(2-{(1E)-[(carbamo­thioyl­amino)­imino]­meth­yl}phen­oxy)prop­oxy]phen­yl}methyl­idene)amino]­thio­urea with an unknown solvate
title_short Crystal structure of [(E)-({2-[3-(2-{(1E)-[(carbamo­thioyl­amino)­imino]­meth­yl}phen­oxy)prop­oxy]phen­yl}methyl­idene)amino]­thio­urea with an unknown solvate
title_sort crystal structure of [(e)-({2-[3-(2-{(1e)-[(carbamo­thioyl­amino)­imino]­meth­yl}phen­oxy)prop­oxy]phen­yl}methyl­idene)amino]­thio­urea with an unknown solvate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518929/
https://www.ncbi.nlm.nih.gov/pubmed/26279946
http://dx.doi.org/10.1107/S2056989015012074
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