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1-{[4′-(1H-1,2,4-Triazol-2-ium-1-ylmeth­yl)biphenyl-4-yl]meth­yl}-1H-1,2,4-triazol-2-ium bis­(3-carb­oxy-5-iodo­benzoate)–5-iodo­benzene-3,5-dicarb­oxy­lic acid–water (1/2/2)

The neutral carb­oxy­lic acid mol­ecule and the carboxyl­ate anion in the title compound, C(18)H(18)N(6) (2+)·2C(8)H(4)IO(4) (−)·2C(8)H(5)IO(4)·2H(2)O, are both nearly planar (r.m.s. deviations = 0.034 and 0.045 Å, respectively). In the cation, the mid-point of the C—C bond linking the two benzene r...

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Detalles Bibliográficos
Autores principales: Zhang, Kou-Lin, Deng, Ye, Ng, Seik Weng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344494/
https://www.ncbi.nlm.nih.gov/pubmed/22590256
http://dx.doi.org/10.1107/S1600536812014584
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author Zhang, Kou-Lin
Deng, Ye
Ng, Seik Weng
author_facet Zhang, Kou-Lin
Deng, Ye
Ng, Seik Weng
author_sort Zhang, Kou-Lin
collection PubMed
description The neutral carb­oxy­lic acid mol­ecule and the carboxyl­ate anion in the title compound, C(18)H(18)N(6) (2+)·2C(8)H(4)IO(4) (−)·2C(8)H(5)IO(4)·2H(2)O, are both nearly planar (r.m.s. deviations = 0.034 and 0.045 Å, respectively). In the cation, the mid-point of the C—C bond linking the two benzene rings lies on a center of inversion, and the triazole ring is approximately perpendicular to the adjacent benzene ring [dihedral angle = 83.2 (3)°]. In the crystal, the cations, anions, carb­oxy­lic acid and lattice water mol­ecules are linked by N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds, generating a ribbon running along [1-10]. The crystal studied was a non-merohedral twin with the components in a 51.2 (1):48.8 (1) ratio.
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spelling pubmed-33444942012-05-15 1-{[4′-(1H-1,2,4-Triazol-2-ium-1-ylmeth­yl)biphenyl-4-yl]meth­yl}-1H-1,2,4-triazol-2-ium bis­(3-carb­oxy-5-iodo­benzoate)–5-iodo­benzene-3,5-dicarb­oxy­lic acid–water (1/2/2) Zhang, Kou-Lin Deng, Ye Ng, Seik Weng Acta Crystallogr Sect E Struct Rep Online Organic Papers The neutral carb­oxy­lic acid mol­ecule and the carboxyl­ate anion in the title compound, C(18)H(18)N(6) (2+)·2C(8)H(4)IO(4) (−)·2C(8)H(5)IO(4)·2H(2)O, are both nearly planar (r.m.s. deviations = 0.034 and 0.045 Å, respectively). In the cation, the mid-point of the C—C bond linking the two benzene rings lies on a center of inversion, and the triazole ring is approximately perpendicular to the adjacent benzene ring [dihedral angle = 83.2 (3)°]. In the crystal, the cations, anions, carb­oxy­lic acid and lattice water mol­ecules are linked by N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds, generating a ribbon running along [1-10]. The crystal studied was a non-merohedral twin with the components in a 51.2 (1):48.8 (1) ratio. International Union of Crystallography 2012-04-13 /pmc/articles/PMC3344494/ /pubmed/22590256 http://dx.doi.org/10.1107/S1600536812014584 Text en © Zhang 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
Zhang, Kou-Lin
Deng, Ye
Ng, Seik Weng
1-{[4′-(1H-1,2,4-Triazol-2-ium-1-ylmeth­yl)biphenyl-4-yl]meth­yl}-1H-1,2,4-triazol-2-ium bis­(3-carb­oxy-5-iodo­benzoate)–5-iodo­benzene-3,5-dicarb­oxy­lic acid–water (1/2/2)
title 1-{[4′-(1H-1,2,4-Triazol-2-ium-1-ylmeth­yl)biphenyl-4-yl]meth­yl}-1H-1,2,4-triazol-2-ium bis­(3-carb­oxy-5-iodo­benzoate)–5-iodo­benzene-3,5-dicarb­oxy­lic acid–water (1/2/2)
title_full 1-{[4′-(1H-1,2,4-Triazol-2-ium-1-ylmeth­yl)biphenyl-4-yl]meth­yl}-1H-1,2,4-triazol-2-ium bis­(3-carb­oxy-5-iodo­benzoate)–5-iodo­benzene-3,5-dicarb­oxy­lic acid–water (1/2/2)
title_fullStr 1-{[4′-(1H-1,2,4-Triazol-2-ium-1-ylmeth­yl)biphenyl-4-yl]meth­yl}-1H-1,2,4-triazol-2-ium bis­(3-carb­oxy-5-iodo­benzoate)–5-iodo­benzene-3,5-dicarb­oxy­lic acid–water (1/2/2)
title_full_unstemmed 1-{[4′-(1H-1,2,4-Triazol-2-ium-1-ylmeth­yl)biphenyl-4-yl]meth­yl}-1H-1,2,4-triazol-2-ium bis­(3-carb­oxy-5-iodo­benzoate)–5-iodo­benzene-3,5-dicarb­oxy­lic acid–water (1/2/2)
title_short 1-{[4′-(1H-1,2,4-Triazol-2-ium-1-ylmeth­yl)biphenyl-4-yl]meth­yl}-1H-1,2,4-triazol-2-ium bis­(3-carb­oxy-5-iodo­benzoate)–5-iodo­benzene-3,5-dicarb­oxy­lic acid–water (1/2/2)
title_sort 1-{[4′-(1h-1,2,4-triazol-2-ium-1-ylmeth­yl)biphenyl-4-yl]meth­yl}-1h-1,2,4-triazol-2-ium bis­(3-carb­oxy-5-iodo­benzoate)–5-iodo­benzene-3,5-dicarb­oxy­lic acid–water (1/2/2)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344494/
https://www.ncbi.nlm.nih.gov/pubmed/22590256
http://dx.doi.org/10.1107/S1600536812014584
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