Bis{4-[(3,5-dimethyl-1H-pyrazol-4-yl)selan­yl]-3,5-dimethyl-1H-pyrazol-2-ium} chloride monohydrate

In the title compound, 2C(10)H(15)N(4)Se(+)·Cl(−)·OH(−), a singly protonated mol­ecule of the organic selenide participates in hydrogen bonding with neighboring mol­ecules, forming zigzag chains along [001]. The molecule adapts a cis bridging mode with a C—Se—C angle of 102.13 (15)°. π–π stacking in...

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Autores principales: Seredyuk, Maksym, Pavlenko, Vadim A., Znovjyak, Kateryna O., Gumienna-Kontecka, Elzbieta, Penkova, Larysa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393332/
https://www.ncbi.nlm.nih.gov/pubmed/22807889
http://dx.doi.org/10.1107/S1600536812025640
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author Seredyuk, Maksym
Pavlenko, Vadim A.
Znovjyak, Kateryna O.
Gumienna-Kontecka, Elzbieta
Penkova, Larysa
author_facet Seredyuk, Maksym
Pavlenko, Vadim A.
Znovjyak, Kateryna O.
Gumienna-Kontecka, Elzbieta
Penkova, Larysa
author_sort Seredyuk, Maksym
collection PubMed
description In the title compound, 2C(10)H(15)N(4)Se(+)·Cl(−)·OH(−), a singly protonated mol­ecule of the organic selenide participates in hydrogen bonding with neighboring mol­ecules, forming zigzag chains along [001]. The molecule adapts a cis bridging mode with a C—Se—C angle of 102.13 (15)°. π–π stacking inter­actions are observed between the closest pyrazole rings of neighboring chains [centroid–centroid distance = 3.888 (1) Å] and hydrogen bonding occurs through bridging chloride anions and hydroxide groups. Additionally, O—H⋯Cl hydrogen bonds are formed.
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spelling pubmed-33933322012-07-17 Bis{4-[(3,5-dimethyl-1H-pyrazol-4-yl)selan­yl]-3,5-dimethyl-1H-pyrazol-2-ium} chloride monohydrate Seredyuk, Maksym Pavlenko, Vadim A. Znovjyak, Kateryna O. Gumienna-Kontecka, Elzbieta Penkova, Larysa Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, 2C(10)H(15)N(4)Se(+)·Cl(−)·OH(−), a singly protonated mol­ecule of the organic selenide participates in hydrogen bonding with neighboring mol­ecules, forming zigzag chains along [001]. The molecule adapts a cis bridging mode with a C—Se—C angle of 102.13 (15)°. π–π stacking inter­actions are observed between the closest pyrazole rings of neighboring chains [centroid–centroid distance = 3.888 (1) Å] and hydrogen bonding occurs through bridging chloride anions and hydroxide groups. Additionally, O—H⋯Cl hydrogen bonds are formed. International Union of Crystallography 2012-06-13 /pmc/articles/PMC3393332/ /pubmed/22807889 http://dx.doi.org/10.1107/S1600536812025640 Text en © Seredyuk et al. 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
Seredyuk, Maksym
Pavlenko, Vadim A.
Znovjyak, Kateryna O.
Gumienna-Kontecka, Elzbieta
Penkova, Larysa
Bis{4-[(3,5-dimethyl-1H-pyrazol-4-yl)selan­yl]-3,5-dimethyl-1H-pyrazol-2-ium} chloride monohydrate
title Bis{4-[(3,5-dimethyl-1H-pyrazol-4-yl)selan­yl]-3,5-dimethyl-1H-pyrazol-2-ium} chloride monohydrate
title_full Bis{4-[(3,5-dimethyl-1H-pyrazol-4-yl)selan­yl]-3,5-dimethyl-1H-pyrazol-2-ium} chloride monohydrate
title_fullStr Bis{4-[(3,5-dimethyl-1H-pyrazol-4-yl)selan­yl]-3,5-dimethyl-1H-pyrazol-2-ium} chloride monohydrate
title_full_unstemmed Bis{4-[(3,5-dimethyl-1H-pyrazol-4-yl)selan­yl]-3,5-dimethyl-1H-pyrazol-2-ium} chloride monohydrate
title_short Bis{4-[(3,5-dimethyl-1H-pyrazol-4-yl)selan­yl]-3,5-dimethyl-1H-pyrazol-2-ium} chloride monohydrate
title_sort bis{4-[(3,5-dimethyl-1h-pyrazol-4-yl)selan­yl]-3,5-dimethyl-1h-pyrazol-2-ium} chloride monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393332/
https://www.ncbi.nlm.nih.gov/pubmed/22807889
http://dx.doi.org/10.1107/S1600536812025640
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AT penkovalarysa bis435dimethyl1hpyrazol4ylselanyl35dimethyl1hpyrazol2iumchloridemonohydrate

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