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N-Benzoyl-N′-(1,10-phenanthrolin-5-yl)thio­urea dichloro­methane hemisolvate monohydrate

The title compound, C(20)H(14)N(4)OS·0.5CH(2)Cl(2)·H(2)O, contains 1,10-phenanthroline and benzoyl fragments that adopt cisoid and transoid conformations respectively, with respect to the S atom. In the crystal, mol­ecules are linked by inter­molecular O—H⋯O, O—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds, f...

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Autores principales: Mat Rashid, Fatisha Liyana, Heng, Lee Yook, Daran, Jean-Claude, Kassim, Mohammad B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120558/
https://www.ncbi.nlm.nih.gov/pubmed/21754783
http://dx.doi.org/10.1107/S160053681101734X
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author Mat Rashid, Fatisha Liyana
Heng, Lee Yook
Daran, Jean-Claude
Kassim, Mohammad B.
author_facet Mat Rashid, Fatisha Liyana
Heng, Lee Yook
Daran, Jean-Claude
Kassim, Mohammad B.
author_sort Mat Rashid, Fatisha Liyana
collection PubMed
description The title compound, C(20)H(14)N(4)OS·0.5CH(2)Cl(2)·H(2)O, contains 1,10-phenanthroline and benzoyl fragments that adopt cisoid and transoid conformations respectively, with respect to the S atom. In the crystal, mol­ecules are linked by inter­molecular O—H⋯O, O—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds, forming chains along [011]. Weak C—H⋯π and slipped π–π stacking inter­actions [centroid–centroid distances = 3.715 (3), 3.684 (3) and 3.574 (2) Å] are also observed. In addition to an ordered water mol­ecule of solvation, there is a disordered dichloro­methane solvent mol­ecule which was difficult to model correctly. The contributions to the electron density for this mol­ecule was removed using the SQUEEZE procedure in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148–155].
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spelling pubmed-31205582011-07-13 N-Benzoyl-N′-(1,10-phenanthrolin-5-yl)thio­urea dichloro­methane hemisolvate monohydrate Mat Rashid, Fatisha Liyana Heng, Lee Yook Daran, Jean-Claude Kassim, Mohammad B. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(20)H(14)N(4)OS·0.5CH(2)Cl(2)·H(2)O, contains 1,10-phenanthroline and benzoyl fragments that adopt cisoid and transoid conformations respectively, with respect to the S atom. In the crystal, mol­ecules are linked by inter­molecular O—H⋯O, O—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds, forming chains along [011]. Weak C—H⋯π and slipped π–π stacking inter­actions [centroid–centroid distances = 3.715 (3), 3.684 (3) and 3.574 (2) Å] are also observed. In addition to an ordered water mol­ecule of solvation, there is a disordered dichloro­methane solvent mol­ecule which was difficult to model correctly. The contributions to the electron density for this mol­ecule was removed using the SQUEEZE procedure in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148–155]. International Union of Crystallography 2011-05-14 /pmc/articles/PMC3120558/ /pubmed/21754783 http://dx.doi.org/10.1107/S160053681101734X Text en © Mat Rashid et al. 2011 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
Mat Rashid, Fatisha Liyana
Heng, Lee Yook
Daran, Jean-Claude
Kassim, Mohammad B.
N-Benzoyl-N′-(1,10-phenanthrolin-5-yl)thio­urea dichloro­methane hemisolvate monohydrate
title N-Benzoyl-N′-(1,10-phenanthrolin-5-yl)thio­urea dichloro­methane hemisolvate monohydrate
title_full N-Benzoyl-N′-(1,10-phenanthrolin-5-yl)thio­urea dichloro­methane hemisolvate monohydrate
title_fullStr N-Benzoyl-N′-(1,10-phenanthrolin-5-yl)thio­urea dichloro­methane hemisolvate monohydrate
title_full_unstemmed N-Benzoyl-N′-(1,10-phenanthrolin-5-yl)thio­urea dichloro­methane hemisolvate monohydrate
title_short N-Benzoyl-N′-(1,10-phenanthrolin-5-yl)thio­urea dichloro­methane hemisolvate monohydrate
title_sort n-benzoyl-n′-(1,10-phenanthrolin-5-yl)thio­urea dichloro­methane hemisolvate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120558/
https://www.ncbi.nlm.nih.gov/pubmed/21754783
http://dx.doi.org/10.1107/S160053681101734X
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