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Dimethyl 2,2′-({2,2′-methylenebis[6-(2H-benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)-2,1-phenylene]}dioxy)diacetate
The asymmetric unit of the title compound, C(47)H(58)N(6)O(6), comprises three independent molecules, in one of which one tert-butyl group is disordered in a 1:1 ratio. The molecule is a di(aryl)methane having two aliphatic and one N-heterocyclic substituent in each aryl ring. For the molecule h...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3052126/ https://www.ncbi.nlm.nih.gov/pubmed/21522464 http://dx.doi.org/10.1107/S1600536811006362 |
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author | Qadri, Tahir Anis, Itrat Shah, M. R. Ng, Seik Weng |
author_facet | Qadri, Tahir Anis, Itrat Shah, M. R. Ng, Seik Weng |
author_sort | Qadri, Tahir |
collection | PubMed |
description | The asymmetric unit of the title compound, C(47)H(58)N(6)O(6), comprises three independent molecules, in one of which one tert-butyl group is disordered in a 1:1 ratio. The molecule is a di(aryl)methane having two aliphatic and one N-heterocyclic substituent in each aryl ring. For the molecule having the disordered tert-butyl group, the aryl rings make an angle of 115.3 (2)° at the methylene carbon; one aryl ring is aligned at 42.0 (1)° with respect to the N-heterocyclic substituent and the other at 48.7 (1)° with respect to its substituent. The two ordered molecules are disposed about a pseudo center of inversion. The pairs of twist angles in these two molecules differ [52.7 (1) and 61.7 (1)°, and 29.1 (1) and 58.5 (1)°]. |
format | Text |
id | pubmed-3052126 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30521262011-04-26 Dimethyl 2,2′-({2,2′-methylenebis[6-(2H-benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)-2,1-phenylene]}dioxy)diacetate Qadri, Tahir Anis, Itrat Shah, M. R. Ng, Seik Weng Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(47)H(58)N(6)O(6), comprises three independent molecules, in one of which one tert-butyl group is disordered in a 1:1 ratio. The molecule is a di(aryl)methane having two aliphatic and one N-heterocyclic substituent in each aryl ring. For the molecule having the disordered tert-butyl group, the aryl rings make an angle of 115.3 (2)° at the methylene carbon; one aryl ring is aligned at 42.0 (1)° with respect to the N-heterocyclic substituent and the other at 48.7 (1)° with respect to its substituent. The two ordered molecules are disposed about a pseudo center of inversion. The pairs of twist angles in these two molecules differ [52.7 (1) and 61.7 (1)°, and 29.1 (1) and 58.5 (1)°]. International Union of Crystallography 2011-02-26 /pmc/articles/PMC3052126/ /pubmed/21522464 http://dx.doi.org/10.1107/S1600536811006362 Text en © Qadri et al. 2011 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 Qadri, Tahir Anis, Itrat Shah, M. R. Ng, Seik Weng Dimethyl 2,2′-({2,2′-methylenebis[6-(2H-benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)-2,1-phenylene]}dioxy)diacetate |
title | Dimethyl 2,2′-({2,2′-methylenebis[6-(2H-benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)-2,1-phenylene]}dioxy)diacetate |
title_full | Dimethyl 2,2′-({2,2′-methylenebis[6-(2H-benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)-2,1-phenylene]}dioxy)diacetate |
title_fullStr | Dimethyl 2,2′-({2,2′-methylenebis[6-(2H-benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)-2,1-phenylene]}dioxy)diacetate |
title_full_unstemmed | Dimethyl 2,2′-({2,2′-methylenebis[6-(2H-benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)-2,1-phenylene]}dioxy)diacetate |
title_short | Dimethyl 2,2′-({2,2′-methylenebis[6-(2H-benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)-2,1-phenylene]}dioxy)diacetate |
title_sort | dimethyl 2,2′-({2,2′-methylenebis[6-(2h-benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)-2,1-phenylene]}dioxy)diacetate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3052126/ https://www.ncbi.nlm.nih.gov/pubmed/21522464 http://dx.doi.org/10.1107/S1600536811006362 |
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