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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...

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Autores principales: Mokhtabad Amrei, Leila, Boeré, René T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
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).
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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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