Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Kuan, Fong Sheen, Jotani, Mukesh M., Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
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
_version_ 1783286337818853376
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
work_keys_str_mv AT kuanfongsheen newmonoclinicformofoethyln4nitrophenylthiocarbamatokstri4tolylphosphanekpgoldicrystalstructureandhirshfeldsurfaceanalysis
AT jotanimukeshm newmonoclinicformofoethyln4nitrophenylthiocarbamatokstri4tolylphosphanekpgoldicrystalstructureandhirshfeldsurfaceanalysis
AT tiekinkedwardrt newmonoclinicformofoethyln4nitrophenylthiocarbamatokstri4tolylphosphanekpgoldicrystalstructureandhirshfeldsurfaceanalysis