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

ABSTRACT: In the title compound, 2C(10)H(15)N(4)Se(+)·Cl(-)·OH(-), a singly protonated mol-ecule of the organic selenide participates in hydrogen bonding with neighboring mol-ecules, forming zigzag chains along [001]. The molecule adapts a cis bridging mode with a C-Se-C angle of 102.13?(15)°. ?-? stacking inter-actions 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.

SUBMITTER: Seredyuk M

PROVIDER: S-EPMC3393332 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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

Seredyuk Maksym M Pavlenko Vadim A VA Znovjyak Kateryna O KO Gumienna-Kontecka Elzbieta E Penkova Larysa L

Acta crystallographica. Section E, Structure reports online 20120613 Pt 7

In the title compound, 2C(10)H(15)N(4)Se(+)·Cl(-)·OH(-), a singly protonated mol-ecule of the organic selenide participates in hydrogen bonding with neighboring mol-ecules, 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 inter-actions 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 ...[more]

PMID: 22807889

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