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4-Phenyl-1H-imidazole-2(3H)-thione

In the asymmetric unit of the title compound, C(9)H(8)N(2)S, there are four symmetry-independent mol­ecules (Z′ = 4). The geometrical features of these mol­ecules are quite similar: in the normal probability plots the R (2) correlation factors for bond lengths and angles are generally around 0.95. T...

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Detalles Bibliográficos
Autores principales: Owczarzak, Anita M., Kubicki, Maciej
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379282/
https://www.ncbi.nlm.nih.gov/pubmed/22719480
http://dx.doi.org/10.1107/S1600536812020090
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author Owczarzak, Anita M.
Kubicki, Maciej
author_facet Owczarzak, Anita M.
Kubicki, Maciej
author_sort Owczarzak, Anita M.
collection PubMed
description In the asymmetric unit of the title compound, C(9)H(8)N(2)S, there are four symmetry-independent mol­ecules (Z′ = 4). The geometrical features of these mol­ecules are quite similar: in the normal probability plots the R (2) correlation factors for bond lengths and angles are generally around 0.95. The twist angles between the imidazole and phenyl rings (which are planar within 3σ) range from 9.0 (6) to 13.1 (5)°. In the crystal, pairs of independent molecules are joined by linear N—H⋯S and weak C—H⋯S hydrogen bonds, forming infinite ribbons, of the type ∼ABABAB∼ and ∼CDCDCD∼, propagating along [110]. Second-order hydrogen-bonded R (2) (2)(8) rings are formed via inter­weaving infinite C (2) (2)(8) chains.
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spelling pubmed-33792822012-06-20 4-Phenyl-1H-imidazole-2(3H)-thione Owczarzak, Anita M. Kubicki, Maciej Acta Crystallogr Sect E Struct Rep Online Organic Papers In the asymmetric unit of the title compound, C(9)H(8)N(2)S, there are four symmetry-independent mol­ecules (Z′ = 4). The geometrical features of these mol­ecules are quite similar: in the normal probability plots the R (2) correlation factors for bond lengths and angles are generally around 0.95. The twist angles between the imidazole and phenyl rings (which are planar within 3σ) range from 9.0 (6) to 13.1 (5)°. In the crystal, pairs of independent molecules are joined by linear N—H⋯S and weak C—H⋯S hydrogen bonds, forming infinite ribbons, of the type ∼ABABAB∼ and ∼CDCDCD∼, propagating along [110]. Second-order hydrogen-bonded R (2) (2)(8) rings are formed via inter­weaving infinite C (2) (2)(8) chains. International Union of Crystallography 2012-05-12 /pmc/articles/PMC3379282/ /pubmed/22719480 http://dx.doi.org/10.1107/S1600536812020090 Text en © Owczarzak and Kubicki 2012 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
Owczarzak, Anita M.
Kubicki, Maciej
4-Phenyl-1H-imidazole-2(3H)-thione
title 4-Phenyl-1H-imidazole-2(3H)-thione
title_full 4-Phenyl-1H-imidazole-2(3H)-thione
title_fullStr 4-Phenyl-1H-imidazole-2(3H)-thione
title_full_unstemmed 4-Phenyl-1H-imidazole-2(3H)-thione
title_short 4-Phenyl-1H-imidazole-2(3H)-thione
title_sort 4-phenyl-1h-imidazole-2(3h)-thione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379282/
https://www.ncbi.nlm.nih.gov/pubmed/22719480
http://dx.doi.org/10.1107/S1600536812020090
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