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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...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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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. |
format | Text |
id | pubmed-2972075 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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