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(Z)-N-(1-Ethoxyethylidene)-2,6-bis(propan-2-yl)anilinium chloride hemihydrate
In the title compound, C(16)H(26)NO(+)·Cl(−)·0.5H(2)O, the asymmetric unit consists of two independent cations, their respective chloride anions and a solvent water molecule. Together they form a discrete crescent-shaped entity linked by hydrogen bonds from the central water atom to two Cl(−) ions...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470225/ https://www.ncbi.nlm.nih.gov/pubmed/23125669 http://dx.doi.org/10.1107/S1600536812037543 |
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author | Mokhtabad Amrei, Leila Boeré, René T. |
author_facet | Mokhtabad Amrei, Leila Boeré, René T. |
author_sort | Mokhtabad Amrei, Leila |
collection | PubMed |
description | In the title compound, C(16)H(26)NO(+)·Cl(−)·0.5H(2)O, the asymmetric unit consists of two independent cations, their respective chloride anions and a solvent water molecule. Together they form a discrete crescent-shaped entity linked by hydrogen bonds from the central water atom to two Cl(−) ions and from the latter to two protonated imine groups. The geometries of the two independent cations are essentially the same. The planar N=C(O)CH(3) groups in each (r.m.s. deviations = 0.0011 and 0.0026 Å) form dihedral angles of 75.28 (5) and 79.10 (4)° with the benzene rings. In one cation, the methyl atoms of one of the isopropyl groups were modeled as disordered over two sets of sites, with refined occupancies of 0.589 (17) and 0.411 (17). |
format | Online Article Text |
id | pubmed-3470225 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-34702252012-11-02 (Z)-N-(1-Ethoxyethylidene)-2,6-bis(propan-2-yl)anilinium chloride hemihydrate Mokhtabad Amrei, Leila Boeré, René T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(26)NO(+)·Cl(−)·0.5H(2)O, the asymmetric unit consists of two independent cations, their respective chloride anions and a solvent water molecule. Together they form a discrete crescent-shaped entity linked by hydrogen bonds from the central water atom to two Cl(−) ions and from the latter to two protonated imine groups. The geometries of the two independent cations are essentially the same. The planar N=C(O)CH(3) groups in each (r.m.s. deviations = 0.0011 and 0.0026 Å) form dihedral angles of 75.28 (5) and 79.10 (4)° with the benzene rings. In one cation, the methyl atoms of one of the isopropyl groups were modeled as disordered over two sets of sites, with refined occupancies of 0.589 (17) and 0.411 (17). International Union of Crystallography 2012-09-08 /pmc/articles/PMC3470225/ /pubmed/23125669 http://dx.doi.org/10.1107/S1600536812037543 Text en © Mokhtabad Amrei and Boeré 2012 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 Mokhtabad Amrei, Leila Boeré, René T. (Z)-N-(1-Ethoxyethylidene)-2,6-bis(propan-2-yl)anilinium chloride hemihydrate |
title | (Z)-N-(1-Ethoxyethylidene)-2,6-bis(propan-2-yl)anilinium chloride hemihydrate |
title_full | (Z)-N-(1-Ethoxyethylidene)-2,6-bis(propan-2-yl)anilinium chloride hemihydrate |
title_fullStr | (Z)-N-(1-Ethoxyethylidene)-2,6-bis(propan-2-yl)anilinium chloride hemihydrate |
title_full_unstemmed | (Z)-N-(1-Ethoxyethylidene)-2,6-bis(propan-2-yl)anilinium chloride hemihydrate |
title_short | (Z)-N-(1-Ethoxyethylidene)-2,6-bis(propan-2-yl)anilinium chloride hemihydrate |
title_sort | (z)-n-(1-ethoxyethylidene)-2,6-bis(propan-2-yl)anilinium chloride hemihydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470225/ https://www.ncbi.nlm.nih.gov/pubmed/23125669 http://dx.doi.org/10.1107/S1600536812037543 |
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