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Crystal structure of ebastinium 3,5-dinitrobenzoate

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Glidewell_2017_ACSECC_ebastinium_CC.pdf (801.7Kb)
Date
10/2017
Author
Shaibah, Mohammed A. E.
Sagar, Belakavadi K.
Yathirajan, Hemmige S.
Kumar, S. Madan
Glidewell, Christopher
Keywords
Molecular structure
Disorder
Conformation
Hydrogen bonding
Supramolecular assembly
QD Chemistry
DAS
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Abstract
Ebastine, 4-(benzhydryloxy)-1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidine, reacts with 3,5-dinitrobenzoic acid in methanol solution to give the title 1:1 salt, ebastinium 3,5-dinitrobenzoate, C32H40NO2+·C7H3N2O6-. In the cation, the disubstituted aryl ring exhibits orientational disorder over two sets of atomic sites having occupancies 0.706(4) and 0.294(6), with a dihedral angle of 41.2(5)° between the two orientations: the bulky Ph2CH—O– substituent occupies an axial site on the piperidine ring. The two ions in the selected asymmetric unit are linked by a nearly linear N—H···O hydrogen bond and this, in combination with two C—H···O hydrogen bonds, links the ions into complex sheets.
Citation
Shaibah , M A E , Sagar , B K , Yathirajan , H S , Kumar , S M & Glidewell , C 2017 , ' Crystal structure of ebastinium 3,5-dinitrobenzoate ' , Acta Crystallographica Section E , vol. 73 , no. 10 , pp. 1513-1516 . https://doi.org/10.1107/S205698901701324X
Publication
Acta Crystallographica Section E
Status
Peer reviewed
DOI
https://doi.org/10.1107/S205698901701324X
ISSN
2056-9890
Type
Journal article
Rights
© 2017 The Authors. This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
Description
BKS thanks the UGC for the award of a Rajiv Gandhi National Fellowship.
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  • University of St Andrews Research
URI
http://hdl.handle.net/10023/11810

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