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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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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]. |
format | Online Article Text |
id | pubmed-3120558 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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