2-({1-[2-(Methyl­sulfan­yl)phen­yl]-1H-tetra­zol-5-yl}sulfan­yl)acetic acid

In the title compound, C(10)H(10)N(4)O(2)S(2), the tetra­zole and benzene rings are almost normal to one another, with a dihedral angle between their planes of 84.33 (9)°. In the crystal, mol­ecules are linked via pairs of bifurcated O—H⋯(N,N) hydrogen bonds, forming inversion dimers with graph-set...

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Detalles Bibliográficos
Autores principales: Mafud, Ana C., Mascarenhas, Yvonne P., Nascimento, Alessandro S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648285/
https://www.ncbi.nlm.nih.gov/pubmed/23723905
http://dx.doi.org/10.1107/S160053681300980X
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author Mafud, Ana C.
Mascarenhas, Yvonne P.
Nascimento, Alessandro S.
author_facet Mafud, Ana C.
Mascarenhas, Yvonne P.
Nascimento, Alessandro S.
author_sort Mafud, Ana C.
collection PubMed
description In the title compound, C(10)H(10)N(4)O(2)S(2), the tetra­zole and benzene rings are almost normal to one another, with a dihedral angle between their planes of 84.33 (9)°. In the crystal, mol­ecules are linked via pairs of bifurcated O—H⋯(N,N) hydrogen bonds, forming inversion dimers with graph-set motif R (4) (4)(12). The dimers are linked by significant π–π inter­actions involving inversion-related tetra­zole rings and inversion-related benzene rings, with centroid–centroid distances of 3.7376 (14) and 3.8444 (15) Å, respectively.
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spelling pubmed-36482852013-05-30 2-({1-[2-(Methyl­sulfan­yl)phen­yl]-1H-tetra­zol-5-yl}sulfan­yl)acetic acid Mafud, Ana C. Mascarenhas, Yvonne P. Nascimento, Alessandro S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(10)H(10)N(4)O(2)S(2), the tetra­zole and benzene rings are almost normal to one another, with a dihedral angle between their planes of 84.33 (9)°. In the crystal, mol­ecules are linked via pairs of bifurcated O—H⋯(N,N) hydrogen bonds, forming inversion dimers with graph-set motif R (4) (4)(12). The dimers are linked by significant π–π inter­actions involving inversion-related tetra­zole rings and inversion-related benzene rings, with centroid–centroid distances of 3.7376 (14) and 3.8444 (15) Å, respectively. International Union of Crystallography 2013-04-20 /pmc/articles/PMC3648285/ /pubmed/23723905 http://dx.doi.org/10.1107/S160053681300980X Text en © Mafud et al. 2013 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
Mafud, Ana C.
Mascarenhas, Yvonne P.
Nascimento, Alessandro S.
2-({1-[2-(Methyl­sulfan­yl)phen­yl]-1H-tetra­zol-5-yl}sulfan­yl)acetic acid
title 2-({1-[2-(Methyl­sulfan­yl)phen­yl]-1H-tetra­zol-5-yl}sulfan­yl)acetic acid
title_full 2-({1-[2-(Methyl­sulfan­yl)phen­yl]-1H-tetra­zol-5-yl}sulfan­yl)acetic acid
title_fullStr 2-({1-[2-(Methyl­sulfan­yl)phen­yl]-1H-tetra­zol-5-yl}sulfan­yl)acetic acid
title_full_unstemmed 2-({1-[2-(Methyl­sulfan­yl)phen­yl]-1H-tetra­zol-5-yl}sulfan­yl)acetic acid
title_short 2-({1-[2-(Methyl­sulfan­yl)phen­yl]-1H-tetra­zol-5-yl}sulfan­yl)acetic acid
title_sort 2-({1-[2-(methyl­sulfan­yl)phen­yl]-1h-tetra­zol-5-yl}sulfan­yl)acetic acid
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648285/
https://www.ncbi.nlm.nih.gov/pubmed/23723905
http://dx.doi.org/10.1107/S160053681300980X
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