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2,2 `-Iminodiethanaminium 2,2 `-(disulfanyldiyl)dibenzoate dihydrate

In the title hydrated salt, C4H15N32+center dot C14H8O4S2-center dot 2H(2)O, the dication (with both terminal -NH2 groups protonated) adopts a U-shaped conformation, the N-amine-C-C-N-azanium torsion angles being 57.9 (6) and 60.3 (6)degrees. The dianion is twisted: the central C-S-S-C torsion angle...

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Main Authors: Broker, G.A., Tiekink, E.R.T.
Format: Article
Published: International Union of Crystallography 2010
Subjects:
Q Science (General)
Online Access:http://eprints.um.edu.my/15022/
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spelling my.um.eprints.150222019-01-31T01:44:36Z http://eprints.um.edu.my/15022/ 2,2 `-Iminodiethanaminium 2,2 `-(disulfanyldiyl)dibenzoate dihydrate Broker, G.A. Tiekink, E.R.T. Q Science (General) In the title hydrated salt, C4H15N32+center dot C14H8O4S2-center dot 2H(2)O, the dication (with both terminal -NH2 groups protonated) adopts a U-shaped conformation, the N-amine-C-C-N-azanium torsion angles being 57.9 (6) and 60.3 (6)degrees. The dianion is twisted: the central C-S-S-C torsion angle is 81.3 (2)degrees and the dihedral angle between the benzene rings is 85.4 (3)degrees. In the crystal, a chain in the a-axis direction mediated by water-carboxylate O-H center dot center dot center dot O hydrogen bonds through a sequence of alternating 12-membered {center dot center dot center dot OCO center dot center dot center dot HOH}(2) and eight-membered {center dot center dot center dot O center dot center dot center dot HOH}(2) synthons occurs, which involves only one of the carboxylate residues. The second carboxylate residue participates in N-H center dot center dot center dot O hydrogen bonding, generating a three-dimensional network, along with azanium-water N-H center dot center dot center dot O hydrogen bonds. International Union of Crystallography 2010 Article PeerReviewed Broker, G.A. and Tiekink, E.R.T. (2010) 2,2 `-Iminodiethanaminium 2,2 `-(disulfanyldiyl)dibenzoate dihydrate. Acta Crystallographica Section E: Structure Reports Online, 66 (3). O718-U5890. ISSN 1600-5368
institution Universiti Malaya
building UM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaya
content_source UM Research Repository
url_provider http://eprints.um.edu.my/
topic Q Science (General)
spellingShingle Q Science (General)
Broker, G.A.
Tiekink, E.R.T.
2,2 `-Iminodiethanaminium 2,2 `-(disulfanyldiyl)dibenzoate dihydrate
description In the title hydrated salt, C4H15N32+center dot C14H8O4S2-center dot 2H(2)O, the dication (with both terminal -NH2 groups protonated) adopts a U-shaped conformation, the N-amine-C-C-N-azanium torsion angles being 57.9 (6) and 60.3 (6)degrees. The dianion is twisted: the central C-S-S-C torsion angle is 81.3 (2)degrees and the dihedral angle between the benzene rings is 85.4 (3)degrees. In the crystal, a chain in the a-axis direction mediated by water-carboxylate O-H center dot center dot center dot O hydrogen bonds through a sequence of alternating 12-membered {center dot center dot center dot OCO center dot center dot center dot HOH}(2) and eight-membered {center dot center dot center dot O center dot center dot center dot HOH}(2) synthons occurs, which involves only one of the carboxylate residues. The second carboxylate residue participates in N-H center dot center dot center dot O hydrogen bonding, generating a three-dimensional network, along with azanium-water N-H center dot center dot center dot O hydrogen bonds.
format Article
author Broker, G.A.
Tiekink, E.R.T.
author_facet Broker, G.A.
Tiekink, E.R.T.
author_sort Broker, G.A.
title 2,2 `-Iminodiethanaminium 2,2 `-(disulfanyldiyl)dibenzoate dihydrate
title_short 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_sort 2,2 `-iminodiethanaminium 2,2 `-(disulfanyldiyl)dibenzoate dihydrate
publisher International Union of Crystallography
publishDate 2010
url http://eprints.um.edu.my/15022/
_version_ 1643689958813204480
score 13.211869

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