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Bis[1-(isopropyl­ideneamino)guanidinium] bis­(3-nitro­benzoate) monohydrate

The asymmetric unit of the title salt hydrate, 2C(4)H(11)N(4) (+)·2C(7)H(4)NO(4) (−)·H(2)O, comprises two independent 1-(isopropyl­ideneamino)guanidinium cations, two independent 3-nitro­benzoate anions and a water mol­ecule of crystallization. There are minimal geometric differences between the two...

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Autores principales: Skakle, Janet M. S., Tiekink, Edward R. T., Wardell, James L., Wardell, Solange M. S. V.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2972075/
https://www.ncbi.nlm.nih.gov/pubmed/21578929
http://dx.doi.org/10.1107/S1600536809048612
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author Skakle, Janet M. S.
Tiekink, Edward R. T.
Wardell, James L.
Wardell, Solange M. S. V.
author_facet Skakle, Janet M. S.
Tiekink, Edward R. T.
Wardell, James L.
Wardell, Solange M. S. V.
author_sort Skakle, Janet M. S.
collection PubMed
description The asymmetric unit of the title salt hydrate, 2C(4)H(11)N(4) (+)·2C(7)H(4)NO(4) (−)·H(2)O, comprises two independent 1-(isopropyl­ideneamino)guanidinium cations, two independent 3-nitro­benzoate anions and a water mol­ecule of crystallization. There are minimal geometric differences between the two planar [maximum deviations 0.061 (2) and 0.088 (2) Å] cations, and between the two almost planar anions [C–C–C–O and C–C–N–O torsion angles of 0.3 (3) and 11.1 (4) °, respectively in the first anion and −173.7 (2) and −0.1 (4), respectively in the second anion]. Extensive O—H⋯O and N—H⋯O hydrogen bonding between all components of the structure leads to the formation of a two-dimensional array with an undulating topology in the bc plane.
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spelling pubmed-29720752010-12-30 Bis[1-(isopropyl­ideneamino)guanidinium] bis­(3-nitro­benzoate) monohydrate Skakle, Janet M. S. Tiekink, Edward R. T. Wardell, James L. Wardell, Solange M. S. V. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title salt hydrate, 2C(4)H(11)N(4) (+)·2C(7)H(4)NO(4) (−)·H(2)O, comprises two independent 1-(isopropyl­ideneamino)guanidinium cations, two independent 3-nitro­benzoate anions and a water mol­ecule of crystallization. There are minimal geometric differences between the two planar [maximum deviations 0.061 (2) and 0.088 (2) Å] cations, and between the two almost planar anions [C–C–C–O and C–C–N–O torsion angles of 0.3 (3) and 11.1 (4) °, respectively in the first anion and −173.7 (2) and −0.1 (4), respectively in the second anion]. Extensive O—H⋯O and N—H⋯O hydrogen bonding between all components of the structure leads to the formation of a two-dimensional array with an undulating topology in the bc plane. International Union of Crystallography 2009-11-25 /pmc/articles/PMC2972075/ /pubmed/21578929 http://dx.doi.org/10.1107/S1600536809048612 Text en © Skakle et al. 2009 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
Skakle, Janet M. S.
Tiekink, Edward R. T.
Wardell, James L.
Wardell, Solange M. S. V.
Bis[1-(isopropyl­ideneamino)guanidinium] bis­(3-nitro­benzoate) monohydrate
title Bis[1-(isopropyl­ideneamino)guanidinium] bis­(3-nitro­benzoate) monohydrate
title_full Bis[1-(isopropyl­ideneamino)guanidinium] bis­(3-nitro­benzoate) monohydrate
title_fullStr Bis[1-(isopropyl­ideneamino)guanidinium] bis­(3-nitro­benzoate) monohydrate
title_full_unstemmed Bis[1-(isopropyl­ideneamino)guanidinium] bis­(3-nitro­benzoate) monohydrate
title_short Bis[1-(isopropyl­ideneamino)guanidinium] bis­(3-nitro­benzoate) monohydrate
title_sort bis[1-(isopropyl­ideneamino)guanidinium] bis­(3-nitro­benzoate) monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2972075/
https://www.ncbi.nlm.nih.gov/pubmed/21578929
http://dx.doi.org/10.1107/S1600536809048612
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