含杂硼烷的晶体工程。I. 1-羧基-1,2-二碳-闭式-十二硼烷(11)。
Crystal engineering with heteroboranes. I. 1-Carboxy-1,2-dicarba-closo-dodecaborane(11).
作者信息
Welch A J, Venkatasubramanian U, Rosair G M, Ellis D, Donohoe D J
机构信息
Department of Chemistry, Heriot-Watt University, Edinburgh EH14 4AS, Scotland.
出版信息
Acta Crystallogr C. 2001 Nov;57(Pt 11):1295-6. doi: 10.1107/s0108270101010204. Epub 2001 Nov 13.
The title compound, C(3)H(12)B(10)O(2) or 1-COOH-1,2-closo-C(2)B(10)H(11), forms centrosymmetric dimers through intermolecular hydrogen bonding between the carboxylic acid groups, resulting in the formation of an eight-membered ring [R(2)(2)(8)]. The C==O bond of the carboxylic acid group almost eclipses the unsubstituted cage C atom, with a C-C-C-O torsion angle of 2.6 (2) degrees.
标题化合物C(3)H(12)B(10)O(2)或1-COOH-1,2-closo-C(2)B(10)H(11)通过羧酸基团之间的分子间氢键形成中心对称二聚体，从而形成一个八元环[R(2)(2)(8)]。羧酸基团的C==O键几乎与未取代的笼状C原子重叠，C-C-C-O扭转角为2.6(2)度。
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