Bis[3-(2H-benzotriazol-2-yl)-2-(prop-2-ynyloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]methane

Tahir Qadri,Itrat Anis,M R Shah,Seik Weng Ng

doi:10.1107/s1600536811006374

Abstract

In the title compound, C47H54N6O2, the C—C—C bond angle between the rings is 108.40 (13)°. One aryl ring aligned at 38.5 (1)° with respect to the N-heterocyclic substituent and the other at 56.0 (1)° with respect to its substituent. In the crystal, adjacent molecules are linked by C—H⋯N hydrogen bonds, forming a chain extending along the a axis.

Highlights

In the title compound, C47H54N6O2, the C—C—C bond angle between the rings is 108.40 (13)
Adjacent molecules are linked by C—H N hydrogen bonds, forming a chain extending along the a axis
H atoms treated by a mixture of independent and constrained refinement max = 0.47 e Å 3

Summary

Agilent SuperNova Dual diffractometer with an Atlas detector

R factor = 0.051; wR factor = 0.127; data-to-parameter ratio = 18.1. C47H54N6O2, the C—C—C bond angle between the rings is 108.40 (13). 38.5 (1) with respect to the N-heterocyclic substituent and the other at 56.0 (1) with respect to its substituent. Adjacent molecules are linked by C—H N hydrogen bonds, forming a chain extending along the a axis. See: Ali et al (2011). H atoms treated by a mixture of independent and constrained refinement max = 0.47 e Å 3

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Mirror monochromator