1-Methane­sulfonyl-1H-1,2,3-benzotriazole

The mol­ecular geometry of the title compound, C(7)H(7)N(3)O(2)S, does not differ much from that of the previously reported 4-toluene­sulfonyl analogue. Unlike the latter compound, however, mol­ecules of the title compound associate primarily via π–π stacking inter­actions of their benzene rings [ce...

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Detalles Bibliográficos
Autores principales: Štěpnička, Petr, Solařová, Hana, Císařová, Ivana
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009158/
https://www.ncbi.nlm.nih.gov/pubmed/21589026
http://dx.doi.org/10.1107/S1600536810040778
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author Štěpnička, Petr
Solařová, Hana
Císařová, Ivana
author_facet Štěpnička, Petr
Solařová, Hana
Císařová, Ivana
author_sort Štěpnička, Petr
collection PubMed
description The mol­ecular geometry of the title compound, C(7)H(7)N(3)O(2)S, does not differ much from that of the previously reported 4-toluene­sulfonyl analogue. Unlike the latter compound, however, mol­ecules of the title compound associate primarily via π–π stacking inter­actions of their benzene rings [centroid–centroid distance = 3.5865 (8) Å], forming columnar stacks along the crystallographic 2(1) axes. These stacks are inter­connected via weak C—H⋯O and C—H⋯N hydrogen bonds.
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spelling pubmed-30091582010-12-30 1-Methane­sulfonyl-1H-1,2,3-benzotriazole Štěpnička, Petr Solařová, Hana Císařová, Ivana Acta Crystallogr Sect E Struct Rep Online Organic Papers The mol­ecular geometry of the title compound, C(7)H(7)N(3)O(2)S, does not differ much from that of the previously reported 4-toluene­sulfonyl analogue. Unlike the latter compound, however, mol­ecules of the title compound associate primarily via π–π stacking inter­actions of their benzene rings [centroid–centroid distance = 3.5865 (8) Å], forming columnar stacks along the crystallographic 2(1) axes. These stacks are inter­connected via weak C—H⋯O and C—H⋯N hydrogen bonds. International Union of Crystallography 2010-10-20 /pmc/articles/PMC3009158/ /pubmed/21589026 http://dx.doi.org/10.1107/S1600536810040778 Text en © Štěpnička et al. 2010 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
Štěpnička, Petr
Solařová, Hana
Císařová, Ivana
1-Methane­sulfonyl-1H-1,2,3-benzotriazole
title 1-Methane­sulfonyl-1H-1,2,3-benzotriazole
title_full 1-Methane­sulfonyl-1H-1,2,3-benzotriazole
title_fullStr 1-Methane­sulfonyl-1H-1,2,3-benzotriazole
title_full_unstemmed 1-Methane­sulfonyl-1H-1,2,3-benzotriazole
title_short 1-Methane­sulfonyl-1H-1,2,3-benzotriazole
title_sort 1-methane­sulfonyl-1h-1,2,3-benzotriazole
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009158/
https://www.ncbi.nlm.nih.gov/pubmed/21589026
http://dx.doi.org/10.1107/S1600536810040778
work_keys_str_mv AT stepnickapetr 1methanesulfonyl1h123benzotriazole
AT solarovahana 1methanesulfonyl1h123benzotriazole
AT cisarovaivana 1methanesulfonyl1h123benzotriazole

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