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New monoclinic form of {O-Ethyl N-(4-nitrophenyl)thiocarbamato-κS}(tri-4-tolylphosphane-κP)gold(I): crystal structure and Hirshfeld surface analysis
The title phosphanegold(I) thiolate compound, [Au(C(9)H(9)N(2)O(3)S)(C(21)H(21)P)], is a second monoclinic polymorph (space group P2(1)/c) that complements a previously reported Cc polymorph [Broker & Tiekink (2008 ▸). Acta Cryst. E64, m1582]. An SP donor set defines an approximately linear geo...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730296/ https://www.ncbi.nlm.nih.gov/pubmed/29250359 http://dx.doi.org/10.1107/S2056989017012865 |
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author | Kuan, Fong Sheen Jotani, Mukesh M. Tiekink, Edward R. T. |
author_facet | Kuan, Fong Sheen Jotani, Mukesh M. Tiekink, Edward R. T. |
author_sort | Kuan, Fong Sheen |
collection | PubMed |
description | The title phosphanegold(I) thiolate compound, [Au(C(9)H(9)N(2)O(3)S)(C(21)H(21)P)], is a second monoclinic polymorph (space group P2(1)/c) that complements a previously reported Cc polymorph [Broker & Tiekink (2008 ▸). Acta Cryst. E64, m1582]. An SP donor set defines an approximately linear geometry about the gold atom in both forms. The key distinguishing feature between the present structure and the previously reported polymorph rests with the relative disposition of the thiolate ligand. In the title compound, the orientation is such to place the oxygen atom in close contact with the gold atom [Au⋯O = 2.915 (2) Å], in contrast to the aryl ring in the original polymorph. In the crystal, linear supramolecular chains along the a-axis direction mediated by C–H⋯π and nitro-O⋯π interactions are found. These pack with no directional interactions between them. The analysis of the Hirshfeld surfaces for both forms of [Au(C(9)H(9)N(3)O(3)S)(C(21)H(21)P)] indicates quite distinctive interaction profiles relating to the differences in intermolecular contacts found in their respective crystals. |
format | Online Article Text |
id | pubmed-5730296 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-57302962017-12-15 New monoclinic form of {O-Ethyl N-(4-nitrophenyl)thiocarbamato-κS}(tri-4-tolylphosphane-κP)gold(I): crystal structure and Hirshfeld surface analysis Kuan, Fong Sheen Jotani, Mukesh M. Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Research Communications The title phosphanegold(I) thiolate compound, [Au(C(9)H(9)N(2)O(3)S)(C(21)H(21)P)], is a second monoclinic polymorph (space group P2(1)/c) that complements a previously reported Cc polymorph [Broker & Tiekink (2008 ▸). Acta Cryst. E64, m1582]. An SP donor set defines an approximately linear geometry about the gold atom in both forms. The key distinguishing feature between the present structure and the previously reported polymorph rests with the relative disposition of the thiolate ligand. In the title compound, the orientation is such to place the oxygen atom in close contact with the gold atom [Au⋯O = 2.915 (2) Å], in contrast to the aryl ring in the original polymorph. In the crystal, linear supramolecular chains along the a-axis direction mediated by C–H⋯π and nitro-O⋯π interactions are found. These pack with no directional interactions between them. The analysis of the Hirshfeld surfaces for both forms of [Au(C(9)H(9)N(3)O(3)S)(C(21)H(21)P)] indicates quite distinctive interaction profiles relating to the differences in intermolecular contacts found in their respective crystals. International Union of Crystallography 2017-09-15 /pmc/articles/PMC5730296/ /pubmed/29250359 http://dx.doi.org/10.1107/S2056989017012865 Text en © Kuan et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Kuan, Fong Sheen Jotani, Mukesh M. Tiekink, Edward R. T. New monoclinic form of {O-Ethyl N-(4-nitrophenyl)thiocarbamato-κS}(tri-4-tolylphosphane-κP)gold(I): crystal structure and Hirshfeld surface analysis |
title | New monoclinic form of {O-Ethyl N-(4-nitrophenyl)thiocarbamato-κS}(tri-4-tolylphosphane-κP)gold(I): crystal structure and Hirshfeld surface analysis |
title_full | New monoclinic form of {O-Ethyl N-(4-nitrophenyl)thiocarbamato-κS}(tri-4-tolylphosphane-κP)gold(I): crystal structure and Hirshfeld surface analysis |
title_fullStr | New monoclinic form of {O-Ethyl N-(4-nitrophenyl)thiocarbamato-κS}(tri-4-tolylphosphane-κP)gold(I): crystal structure and Hirshfeld surface analysis |
title_full_unstemmed | New monoclinic form of {O-Ethyl N-(4-nitrophenyl)thiocarbamato-κS}(tri-4-tolylphosphane-κP)gold(I): crystal structure and Hirshfeld surface analysis |
title_short | New monoclinic form of {O-Ethyl N-(4-nitrophenyl)thiocarbamato-κS}(tri-4-tolylphosphane-κP)gold(I): crystal structure and Hirshfeld surface analysis |
title_sort | new monoclinic form of {o-ethyl n-(4-nitrophenyl)thiocarbamato-κs}(tri-4-tolylphosphane-κp)gold(i): crystal structure and hirshfeld surface analysis |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730296/ https://www.ncbi.nlm.nih.gov/pubmed/29250359 http://dx.doi.org/10.1107/S2056989017012865 |
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