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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...

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Autores principales: Qadri, Tahir, Anis, Itrat, Shah, M. R., Ng, Seik Weng
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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)°].
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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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AT anisitrat dimethyl2222methylenebis62hbenzotriazol2yl4244trimethylpentan2yl21phenylenedioxydiacetate
AT shahmr dimethyl2222methylenebis62hbenzotriazol2yl4244trimethylpentan2yl21phenylenedioxydiacetate
AT ngseikweng dimethyl2222methylenebis62hbenzotriazol2yl4244trimethylpentan2yl21phenylenedioxydiacetate