2-(1,3-Diphenylpropen-1,3-diolato)-1,3,2-(5-formylbenzo)dioxaborol: A `whole-molecule disorder' crystal structure

S.W. Ng

Document Type

Article

Publication Date

1-1-2010

Abstract

The boron atom in C(22)E(15)BO(5) is O,O'-chelated by the anions in a tetrahedral geometry, with the planar five- and six-membered chelate rings being orthogonal to each other. The molecule lies on a two-fold rotation axis. The molecule is disordered with respect to another molecule in a 93:7 ratio; the treatment of the `whole-molecule disorder' by employing a large number of restraints is described. Crystal data: C(22)H(15)BO(5), monoclinic C2/c, a = 17.1804(5), b = 12.9409(4), c = 9.8842(3) angstrom, beta = 124.832(2), V = 1803.82(9) angstrom(3) at -173 K.

Keywords

Whole-molecule disorder

Publication Title

Chinese Journal of Structural Chemistry

Volume

29

Issue

11

Publisher

Chinese Journal Structural Chemistry

Publisher Location

FUIJAN INST RES STRUCT MATTER, CHINESE ACAD SCIENCES, FUZHOU, FUJIAN 350002, PEOPLES R CHINA

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