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Methyl 2-(4-chloro-3,5-dinitrobenzamido)acetate

The title molecule, C10H8ClN3O7, is twisted with the dihedral angle between the amide and benzene ring being 38.75 (11)degrees. The C-N-C-C torsion angle between the amide and acetyl groups is -150.1 (2)degrees. Finally, each nitro group is twisted out of the plane of the benzene ring to which it is...

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Main Authors: Wu, Xiang-Xiang, Wu, Xue-Fen, Hou, Yi-Min, Ng, S.W., Tiekink, E.R.T.
Format: Article
Published: International Union of Crystallography 2011
Subjects:
QC Physics
Online Access:http://eprints.um.edu.my/14635/
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spelling my.um.eprints.146352019-01-30T08:28:27Z http://eprints.um.edu.my/14635/ Methyl 2-(4-chloro-3,5-dinitrobenzamido)acetate Wu, Xiang-Xiang Wu, Xue-Fen Hou, Yi-Min Ng, S.W. Tiekink, E.R.T. QC Physics The title molecule, C10H8ClN3O7, is twisted with the dihedral angle between the amide and benzene ring being 38.75 (11)degrees. The C-N-C-C torsion angle between the amide and acetyl groups is -150.1 (2)degrees. Finally, each nitro group is twisted out of the plane of the benzene ring to which it is connected [O-N-C-C torsion angles = 34.0 (3) and -64.5 (3)degrees]. Linear supramolecular chains along [010] and mediated by N-H center dot center dot center dot O hydrogen bonds between successive amide groups dominate the crystal packing. The chains are consolidated into the three-dimensional structure by C-H center dot center dot center dot O contacts. International Union of Crystallography 2011 Article PeerReviewed Wu, Xiang-Xiang and Wu, Xue-Fen and Hou, Yi-Min and Ng, S.W. and Tiekink, E.R.T. (2011) Methyl 2-(4-chloro-3,5-dinitrobenzamido)acetate. Acta Crystallographica Section E: Structure Reports Online, 67 (12). O3486-U659. 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 QC Physics
spellingShingle QC Physics
Wu, Xiang-Xiang
Wu, Xue-Fen
Hou, Yi-Min
Ng, S.W.
Tiekink, E.R.T.
Methyl 2-(4-chloro-3,5-dinitrobenzamido)acetate
description The title molecule, C10H8ClN3O7, is twisted with the dihedral angle between the amide and benzene ring being 38.75 (11)degrees. The C-N-C-C torsion angle between the amide and acetyl groups is -150.1 (2)degrees. Finally, each nitro group is twisted out of the plane of the benzene ring to which it is connected [O-N-C-C torsion angles = 34.0 (3) and -64.5 (3)degrees]. Linear supramolecular chains along [010] and mediated by N-H center dot center dot center dot O hydrogen bonds between successive amide groups dominate the crystal packing. The chains are consolidated into the three-dimensional structure by C-H center dot center dot center dot O contacts.
format Article
author Wu, Xiang-Xiang
Wu, Xue-Fen
Hou, Yi-Min
Ng, S.W.
Tiekink, E.R.T.
author_facet Wu, Xiang-Xiang
Wu, Xue-Fen
Hou, Yi-Min
Ng, S.W.
Tiekink, E.R.T.
author_sort Wu, Xiang-Xiang
title Methyl 2-(4-chloro-3,5-dinitrobenzamido)acetate
title_short Methyl 2-(4-chloro-3,5-dinitrobenzamido)acetate
title_full Methyl 2-(4-chloro-3,5-dinitrobenzamido)acetate
title_fullStr Methyl 2-(4-chloro-3,5-dinitrobenzamido)acetate
title_full_unstemmed Methyl 2-(4-chloro-3,5-dinitrobenzamido)acetate
title_sort methyl 2-(4-chloro-3,5-dinitrobenzamido)acetate
publisher International Union of Crystallography
publishDate 2011
url http://eprints.um.edu.my/14635/
_version_ 1643689863734624256
score 13.209306

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