Conformational diversity: Six conformers side-by-side in the crystal cell of 2,2 ',7,7 '-tetramethoxy-9,9 '-spiro-9-silabifluorene

Karle IL; Butcher R; Wolak MA; Lee SH; Kafafi ZH

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Conformational diversity: Six conformers side-by-side in the crystal cell of 2,2 ',7,7 '-tetramethoxy-9,9 '-spiro-9-silabifluorene

机译：构象多样性：2,2'，7,7'-四甲氧基-9,9'-螺-9-硅双芴晶体单元中并排的六个构象异构体

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X-ray crystal structure analysis of a sublimation-grown spiro silabifluorene, that is highly fluorescent in the violet-blue, established that there are six cocrystallized ordered conformers in the asymmetric unit. Crystals were grown by a vapor transport method under argon gas flow at temperatures between 255-280 degrees C. As expected, there are no cocrystallized solvent molecules. There is no pi-stacking of the aryl groups. There is no possibility for normal hydrogen bond formation; however, several CH center dot center dot center dot pi bonds occur. The packing is efficient with a density of 1.24 g/cc. Each conformer deviates from tetrahedral geometry around the Si atom. Cell data are: C(28)H(24)O(4)Six12, sp. gr. P (1) over bar, a=16.2750(5) angstrom, b=20.6613(5) angstrom, c=23.8289(5) angstrom, alpha=102.025(2)degrees, beta=94.252(2)degrees, and gamma=109.916(2)degrees, V=7275(1) angstrom(3).

机译：升华生长的螺旋硅双芴的X射线晶体结构分析（在紫蓝色中高度发荧光）确定了在不对称单元中有六个共结晶有序构象异构体。在255-280℃之间的温度下在氩气流下通过蒸气传输法生长晶体。如所预期的，不存在共结晶的溶剂分子。芳基没有π-堆积。不可能形成正常的氢键;但是，发生了几个CH中心点中心点中心点pi键。填料有效，密度为1.24 g / cc。每个构象异构体都偏离Si原子周围的四面体几何形状。单元格数据为：C（28）H（24）O（4）Six12，sp。 gr。 P（1）超过bar，a = 16.2750（5）埃，b = 20.6613（5）埃，c = 23.8289（5）埃，alpha = 102.025（2）度，beta = 94.252（2）度和gamma = 109.916（2）度，V = 7275（1）埃（3）。

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《Journal of chemical crystallography》 |2007年第3期|共9页
作者
Karle IL; Butcher R; Wolak MA; Lee SH; Kafafi ZH;
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正文语种 eng
中图分类晶体学;
关键词
approximately orthogonal moieties; high temperature crystal form; pi-stacking; hydrogen bonding; planar fluorene groups; pseudo-centers of symmetry; spiro-silabifluorene derivative; LIGHT-EMITTING-DIODES; PHYSICAL VAPOR GROWTH; DERIVATIVES; BONDS;

机译：近似正交部分;高温晶型;π堆积;氢键键合;平面芴基;假对称中心;螺硅双芴衍生物;发光二极管;物理气相生长;衍生物;键合;

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1. Conformational diversity: Six conformers side-by-side in the crystal cell of 2,2 ',7,7 '-tetramethoxy-9,9 '-spiro-9-silabifluorene [J] . Karle IL, Butcher R, Wolak MA, Journal of chemical crystallography . 2007,第3期

机译：构象多样性：2,2'，7,7'-四甲氧基-9,9'-螺-9-硅双芴晶体单元中并排的六个构象异构体
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Conformational diversity: Six conformers side-by-side in the crystal cell of 2,2 ',7,7 '-tetramethoxy-9,9 '-spiro-9-silabifluorene

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