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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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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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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. |
format | Text |
id | pubmed-2960041 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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