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Low-temperature redetermination of 4-chloro-2-[tris­(hydroxy­meth­yl)methyl­imino­meth­yl]phenol as zwitterionic 4-chloro-2-[tris­(hydroxy­meth­yl)methyl­iminiometh­yl]phenolate

The title Schiff base, C(11)H(14)ClNO(4), originally refined as a neutral mol­ecule [Chumakov, Antosyak, Mazus, Tsapkov & Samus (2000), Crystallogr. Rep. 45, 945–950], is inter­preted as a zwitterionic compound. There are two independent zwitterions in the asymmetric unit. Five of the six hydr­o...

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Autor principal: Ng, Seik Weng
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960041/
https://www.ncbi.nlm.nih.gov/pubmed/21581423
http://dx.doi.org/10.1107/S160053680803866X
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author Ng, Seik Weng
author_facet Ng, Seik Weng
author_sort Ng, Seik Weng
collection PubMed
description The title Schiff base, C(11)H(14)ClNO(4), originally refined as a neutral mol­ecule [Chumakov, Antosyak, Mazus, Tsapkov & Samus (2000), Crystallogr. Rep. 45, 945–950], is inter­preted as a zwitterionic compound. There are two independent zwitterions in the asymmetric unit. Five of the six hydr­oxy groups of the –CH(2)OH fragments are disordered. In one zwitterion, two are disordered over three sites [0.53 (1):0.33 (1):0.14 (1) and 0.65 (1):0.18 (1):0.17 (1)] and the third over two sites [0.66 (1):0.34 (1)]. In the second zwitterion, two are disordered over two sites [0.84 (1):0.16 (1) and 0.83 (1):0.17 (1)] and the third hydr­oxy group is ordered.
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spelling pubmed-29600412010-12-30 Low-temperature redetermination of 4-chloro-2-[tris­(hydroxy­meth­yl)methyl­imino­meth­yl]phenol as zwitterionic 4-chloro-2-[tris­(hydroxy­meth­yl)methyl­iminiometh­yl]phenolate Ng, Seik Weng Acta Crystallogr Sect E Struct Rep Online Organic Papers The title Schiff base, C(11)H(14)ClNO(4), originally refined as a neutral mol­ecule [Chumakov, Antosyak, Mazus, Tsapkov & Samus (2000), Crystallogr. Rep. 45, 945–950], is inter­preted as a zwitterionic compound. There are two independent zwitterions in the asymmetric unit. Five of the six hydr­oxy groups of the –CH(2)OH fragments are disordered. In one zwitterion, two are disordered over three sites [0.53 (1):0.33 (1):0.14 (1) and 0.65 (1):0.18 (1):0.17 (1)] and the third over two sites [0.66 (1):0.34 (1)]. In the second zwitterion, two are disordered over two sites [0.84 (1):0.16 (1) and 0.83 (1):0.17 (1)] and the third hydr­oxy group is ordered. International Union of Crystallography 2008-11-26 /pmc/articles/PMC2960041/ /pubmed/21581423 http://dx.doi.org/10.1107/S160053680803866X Text en © Seik Weng Ng 2008 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
Ng, Seik Weng
Low-temperature redetermination of 4-chloro-2-[tris­(hydroxy­meth­yl)methyl­imino­meth­yl]phenol as zwitterionic 4-chloro-2-[tris­(hydroxy­meth­yl)methyl­iminiometh­yl]phenolate
title Low-temperature redetermination of 4-chloro-2-[tris­(hydroxy­meth­yl)methyl­imino­meth­yl]phenol as zwitterionic 4-chloro-2-[tris­(hydroxy­meth­yl)methyl­iminiometh­yl]phenolate
title_full Low-temperature redetermination of 4-chloro-2-[tris­(hydroxy­meth­yl)methyl­imino­meth­yl]phenol as zwitterionic 4-chloro-2-[tris­(hydroxy­meth­yl)methyl­iminiometh­yl]phenolate
title_fullStr Low-temperature redetermination of 4-chloro-2-[tris­(hydroxy­meth­yl)methyl­imino­meth­yl]phenol as zwitterionic 4-chloro-2-[tris­(hydroxy­meth­yl)methyl­iminiometh­yl]phenolate
title_full_unstemmed Low-temperature redetermination of 4-chloro-2-[tris­(hydroxy­meth­yl)methyl­imino­meth­yl]phenol as zwitterionic 4-chloro-2-[tris­(hydroxy­meth­yl)methyl­iminiometh­yl]phenolate
title_short Low-temperature redetermination of 4-chloro-2-[tris­(hydroxy­meth­yl)methyl­imino­meth­yl]phenol as zwitterionic 4-chloro-2-[tris­(hydroxy­meth­yl)methyl­iminiometh­yl]phenolate
title_sort low-temperature redetermination of 4-chloro-2-[tris­(hydroxy­meth­yl)methyl­imino­meth­yl]phenol as zwitterionic 4-chloro-2-[tris­(hydroxy­meth­yl)methyl­iminiometh­yl]phenolate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960041/
https://www.ncbi.nlm.nih.gov/pubmed/21581423
http://dx.doi.org/10.1107/S160053680803866X
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