Abstract
The structure of the title compound [systematic name: (4-chlorophenyl)(2,4,6-trimethylphenyl)methanone], C19H21ClO, has been redetermined at 100 K. The redetermination is of significantly higher precision than the previous structure determination at 133 K and reveals disorder of the one of the o-ethyl groups [occupancy factors = 0.77 (1) and 0.23 (1)] that was not identified in the previous report [Takahashi & Ito (2010 ▶). CrystEngComm, 12, 1628–1634]. The C—C—C—C torsion angles of the major and minor disorder components of the ethyl group with respect to the attached benzene ring are −103.7 (2) and −172.0 (6)°, respectively. It is of interest that the title compound does not display a single-crystal-to-single-crystal polymorphic phase transition on cooling, as was observed for a closely related compound, a fact that can be attributed to the disorder in the ethyl group.
Highlights
The structure of the title compound [systematic name: (4chlorophenyl)(2,4,6-trimethylphenyl)methanone], C19H21ClO, has been redetermined at 100 K
The redetermination is of significantly higher precision than the previous structure determination at 133 K and reveals disorder of the one of the o-ethyl groups [occupancy factors = 0.77 (1) and 0.23 (1)] that was not identified in the previous report [Takahashi & Ito
It is of interest that the title compound does not display a single-crystal-to-singlecrystal polymorphic phase transition on cooling, as was observed for a closely related compound, a fact that can be attributed to the disorder in the ethyl group
Summary
Graduate School of Human and Environmental Studies, Kyoto University, Kyoto 6068501, Japan. Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.002 Å; disorder in main residue; R factor = 0.040; wR factor = 0.104; data-to-parameter ratio = 14.2. The structure of the title compound [systematic name: (4chlorophenyl)(2,4,6-trimethylphenyl)methanone], C19H21ClO, has been redetermined at 100 K. The redetermination is of significantly higher precision than the previous structure determination at 133 K and reveals disorder of the one of the o-ethyl groups [occupancy factors = 0.77 (1) and 0.23 (1)] that was not identified in the previous report [Takahashi & Ito (2010). It is of interest that the title compound does not display a single-crystal-to-singlecrystal polymorphic phase transition on cooling, as was observed for a closely related compound, a fact that can be attributed to the disorder in the ethyl group
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