| 2-（1,3-Diphenylpropen-1,3-diolato）-1,3,2-（5-formylbenzo）dioxaborol： A ＇Whole-molecule Disorder＇ Crystal Structure |
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| 作者姓名： | NG Seik Weng |
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| 作者单位： | Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia |
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| 基金项目： | ACKNOWLEDGEMENT I thank Dr. Sean Park_in of the University of Kentucky for the discussions on whole-molecule disorder, and the University of Malaya for supporting this study. |
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| 摘 要： | The boron atom in C22H15BO5 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: C22H15BO5, monoclinic C2/c, a = 17.1804(5), b = 12.9409(4), c = 9.8842(3) , β = 124.832(2)o, V = 1803.82(9) 3 at –173 K.
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| 关 键 词： | 分子 晶体结构 螯合物 硼原子 阴离子 四面体 六元环 旋转轴 |
2-(1,3-Diphenylpropen-1,3-diolato)-1,3,2-(5-formylbenzo)dioxaborol: A 'Whole-molecule Disorder' Crystal Structure |
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| NG Seik,Weng.2-(1,3-Diphenylpropen-1,3-diolato)-1,3,2-(5-formylbenzo)dioxaborol: A 'Whole-molecule Disorder' Crystal Structure[J].Chinese Journal of Structural Chemistry,2010,29(11):1694-1696. |
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| Authors: | NG Seik Weng |
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| Abstract: | The boron atom in C22H15BO5 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:C22H15BO5,monoclinic C2/c,a=17.1804(5),b=12.9409(4),c=9.8842(3)(A),β=124.832(2)°,V=1803.82(9)(A)3 at-173 K. |
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| Keywords: | whole-molecule disorder |
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