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4-Chloro-2',4',6'-triethyl-benzophenone: a redetermination.

ABSTRACT: THE STRUCTURE OF THE TITLE COMPOUND [SYSTEMATIC NAME: (4-chloro-phen-yl)(2,4,6-trimethyl-phen-yl)methanone], C(19)H(21)ClO, 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 inter-est 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.

SUBMITTER: Takahashi H

PROVIDER: S-EPMC3099762 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

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4-Chloro-2',4',6'-triethyl-benzophenone: a redetermination.

Takahashi Hiroki H

Acta crystallographica. Section E, Structure reports online 20110319 Pt 4

THE STRUCTURE OF THE TITLE COMPOUND [SYSTEMATIC NAME: (4-chloro-phen-yl)(2,4,6-trimethyl-phen-yl)methanone], C(19)H(21)ClO, 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 ...[more]

PMID: 21754204

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