Crystal structure of 2-phenyl­ethyl­amin­ium 4-nitro­phenolate monohydrate

In the title hydrated mol­ecular salt, C(8)H(12)N(+)·C(6)H(4)NO(3) (−)·H(2)O, the conformation of the side chain in the cation is anti [C—C—C—N = 179.62 (12)°] and the dihedral angle between the aromatic ring and the nitro group in the anion is 3.34 (11)°. In the crystal, the components are linked b...

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Autores principales: Sowmya, N. Swarna, Sampathkrishnan, S., Sudhahar, S., Kumar, R. Mohan, Chakkaravarthi, G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257380/
https://www.ncbi.nlm.nih.gov/pubmed/25553045
http://dx.doi.org/10.1107/S1600536814025318
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author Sowmya, N. Swarna
Sampathkrishnan, S.
Sudhahar, S.
Kumar, R. Mohan
Chakkaravarthi, G.
author_facet Sowmya, N. Swarna
Sampathkrishnan, S.
Sudhahar, S.
Kumar, R. Mohan
Chakkaravarthi, G.
author_sort Sowmya, N. Swarna
collection PubMed
description In the title hydrated mol­ecular salt, C(8)H(12)N(+)·C(6)H(4)NO(3) (−)·H(2)O, the conformation of the side chain in the cation is anti [C—C—C—N = 179.62 (12)°] and the dihedral angle between the aromatic ring and the nitro group in the anion is 3.34 (11)°. In the crystal, the components are linked by O—H⋯O and N—H⋯O hydrogen bonds, generating (10-1) sheets, which feature R (4) (4)(21) loops. The sheets inter­act by weak aromatic π–π stacking inter­actions [centroid–centroid distance = 3.896 (3) Å], forming a three-dimensional network.
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spelling pubmed-42573802014-12-31 Crystal structure of 2-phenyl­ethyl­amin­ium 4-nitro­phenolate monohydrate Sowmya, N. Swarna Sampathkrishnan, S. Sudhahar, S. Kumar, R. Mohan Chakkaravarthi, G. Acta Crystallogr Sect E Struct Rep Online Data Reports In the title hydrated mol­ecular salt, C(8)H(12)N(+)·C(6)H(4)NO(3) (−)·H(2)O, the conformation of the side chain in the cation is anti [C—C—C—N = 179.62 (12)°] and the dihedral angle between the aromatic ring and the nitro group in the anion is 3.34 (11)°. In the crystal, the components are linked by O—H⋯O and N—H⋯O hydrogen bonds, generating (10-1) sheets, which feature R (4) (4)(21) loops. The sheets inter­act by weak aromatic π–π stacking inter­actions [centroid–centroid distance = 3.896 (3) Å], forming a three-dimensional network. International Union of Crystallography 2014-11-21 /pmc/articles/PMC4257380/ /pubmed/25553045 http://dx.doi.org/10.1107/S1600536814025318 Text en © Sowmya et al. 2014 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 Data Reports
Sowmya, N. Swarna
Sampathkrishnan, S.
Sudhahar, S.
Kumar, R. Mohan
Chakkaravarthi, G.
Crystal structure of 2-phenyl­ethyl­amin­ium 4-nitro­phenolate monohydrate
title Crystal structure of 2-phenyl­ethyl­amin­ium 4-nitro­phenolate monohydrate
title_full Crystal structure of 2-phenyl­ethyl­amin­ium 4-nitro­phenolate monohydrate
title_fullStr Crystal structure of 2-phenyl­ethyl­amin­ium 4-nitro­phenolate monohydrate
title_full_unstemmed Crystal structure of 2-phenyl­ethyl­amin­ium 4-nitro­phenolate monohydrate
title_short Crystal structure of 2-phenyl­ethyl­amin­ium 4-nitro­phenolate monohydrate
title_sort crystal structure of 2-phenyl­ethyl­amin­ium 4-nitro­phenolate monohydrate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257380/
https://www.ncbi.nlm.nih.gov/pubmed/25553045
http://dx.doi.org/10.1107/S1600536814025318
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