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Dimethyl 2,2'-({2,2'-methyl-enebis[6-(2H-benzotriazol-2-yl)-4-(2,4,4-trimethyl-pentan-2-yl)-2,1-phenyl-ene]}di-oxy)diacetate.

ABSTRACT: The asymmetric unit of the title compound, C(47)H(58)N(6)O(6), comprises three independent mol-ecules, in one of which one tert-butyl group is disordered in a 1:1 ratio. The mol-ecule is a di(ar-yl)methane having two aliphatic and one N-heterocyclic substituent in each aryl ring. For the mol-ecule having the disordered tert-butyl group, the aryl rings make an angle of 115.3?(2)° at the methyl-ene 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 mol-ecules are disposed about a pseudo center of inversion. The pairs of twist angles in these two mol-ecules differ [52.7?(1) and 61.7?(1)°, and 29.1?(1) and 58.5?(1)°].

SUBMITTER: Qadri T 

PROVIDER: S-EPMC3052126 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

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Dimethyl 2,2'-({2,2'-methyl-enebis[6-(2H-benzotriazol-2-yl)-4-(2,4,4-trimethyl-pentan-2-yl)-2,1-phenyl-ene]}di-oxy)diacetate.

Qadri Tahir T   Anis Itrat I   Shah M R MR   Ng Seik Weng SW  

Acta crystallographica. Section E, Structure reports online 20110226 Pt 3

The asymmetric unit of the title compound, C(47)H(58)N(6)O(6), comprises three independent mol-ecules, in one of which one tert-butyl group is disordered in a 1:1 ratio. The mol-ecule is a di(ar-yl)methane having two aliphatic and one N-heterocyclic substituent in each aryl ring. For the mol-ecule having the disordered tert-butyl group, the aryl rings make an angle of 115.3 (2)° at the methyl-ene carbon; one aryl ring is aligned at 42.0 (1)° with respect to the N-heterocyclic substituent and the  ...[more]

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