Cargando…
2,2′-Iminodiethanaminium 2,2′-(disulfanyldiyl)dibenzoate dihydrate
In the title hydrated salt, C(4)H(15)N(3) (2+)·C(14)H(8)O(4)S(2) (−)·2H(2)O, the dication (with both terminal –NH(2) groups protonated) adopts a U-shaped conformation, the N(amine)—C—C—N(azanium) torsion angles being 57.9 (6) and 60.3 (6)°. The dianion is twisted: the central C—S—S—C torsion angle...
Autores principales: | , |
---|---|
Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983751/ https://www.ncbi.nlm.nih.gov/pubmed/21580455 http://dx.doi.org/10.1107/S1600536810007117 |
_version_ | 1782191948841353216 |
---|---|
author | Broker, Grant A. Tiekink, Edward R. T. |
author_facet | Broker, Grant A. Tiekink, Edward R. T. |
author_sort | Broker, Grant A. |
collection | PubMed |
description | In the title hydrated salt, C(4)H(15)N(3) (2+)·C(14)H(8)O(4)S(2) (−)·2H(2)O, the dication (with both terminal –NH(2) groups protonated) adopts a U-shaped conformation, the N(amine)—C—C—N(azanium) torsion angles being 57.9 (6) and 60.3 (6)°. The dianion is twisted: the central C—S—S—C torsion angle is 81.3 (2)° and the dihedral angle between the benzene rings is 85.4 (3)°. In the crystal, a chain in the a-axis direction mediated by water–carboxylate O—H⋯O hydrogen bonds through a sequence of alternating 12-membered {⋯OCO⋯HOH}(2) and eight-membered {⋯O⋯HOH}(2) synthons occurs, which involves only one of the carboxylate residues. The second carboxylate residue participates in N—H⋯O hydrogen bonding, generating a three-dimensional network, along with azanium–water N—H⋯O hydrogen bonds. |
format | Text |
id | pubmed-2983751 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29837512010-12-30 2,2′-Iminodiethanaminium 2,2′-(disulfanyldiyl)dibenzoate dihydrate Broker, Grant A. Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title hydrated salt, C(4)H(15)N(3) (2+)·C(14)H(8)O(4)S(2) (−)·2H(2)O, the dication (with both terminal –NH(2) groups protonated) adopts a U-shaped conformation, the N(amine)—C—C—N(azanium) torsion angles being 57.9 (6) and 60.3 (6)°. The dianion is twisted: the central C—S—S—C torsion angle is 81.3 (2)° and the dihedral angle between the benzene rings is 85.4 (3)°. In the crystal, a chain in the a-axis direction mediated by water–carboxylate O—H⋯O hydrogen bonds through a sequence of alternating 12-membered {⋯OCO⋯HOH}(2) and eight-membered {⋯O⋯HOH}(2) synthons occurs, which involves only one of the carboxylate residues. The second carboxylate residue participates in N—H⋯O hydrogen bonding, generating a three-dimensional network, along with azanium–water N—H⋯O hydrogen bonds. International Union of Crystallography 2010-02-27 /pmc/articles/PMC2983751/ /pubmed/21580455 http://dx.doi.org/10.1107/S1600536810007117 Text en © Broker and Tiekink 2010 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 Broker, Grant A. Tiekink, Edward R. T. 2,2′-Iminodiethanaminium 2,2′-(disulfanyldiyl)dibenzoate dihydrate |
title | 2,2′-Iminodiethanaminium 2,2′-(disulfanyldiyl)dibenzoate dihydrate |
title_full | 2,2′-Iminodiethanaminium 2,2′-(disulfanyldiyl)dibenzoate dihydrate |
title_fullStr | 2,2′-Iminodiethanaminium 2,2′-(disulfanyldiyl)dibenzoate dihydrate |
title_full_unstemmed | 2,2′-Iminodiethanaminium 2,2′-(disulfanyldiyl)dibenzoate dihydrate |
title_short | 2,2′-Iminodiethanaminium 2,2′-(disulfanyldiyl)dibenzoate dihydrate |
title_sort | 2,2′-iminodiethanaminium 2,2′-(disulfanyldiyl)dibenzoate dihydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983751/ https://www.ncbi.nlm.nih.gov/pubmed/21580455 http://dx.doi.org/10.1107/S1600536810007117 |
work_keys_str_mv | AT brokergranta 22iminodiethanaminium22disulfanyldiyldibenzoatedihydrate AT tiekinkedwardrt 22iminodiethanaminium22disulfanyldiyldibenzoatedihydrate |