Crystal-structure determination of the fluorescent bisazomethine pigment C36H26N4O4 from X-ray powder data

被引：1

作者：

Schmidt, Martin U. ^{[1
]}

Bruening, Juergen ^{[1
]}

Buchsbaum, Christian ^{[1
]}

Alig, Edith ^{[1
]}

Fink, Lothar ^{[1
]}

机构：

[1] Univ Frankfurt, Inst Inorgan & Analyt Chem, D-60438 Frankfurt, Germany

来源：

ZEITSCHRIFT FUR KRISTALLOGRAPHIE | 2007年 / 222卷 / 10期

关键词：

D O I：

10.1524/zkri.2007.222.10.539

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The compound C(36)H(26)N(4)O(4), a derivative of Pigment Yellow 101, is one of the few organic pigments that show fluorescence in the solid state. Since single crystals could not be grown, the structure was determined from powder diffraction data. The X-ray powder pattern could be indexed with an orthorhombic unit cell. The space group remained ambiguous. The crystal structure was solved by lattice energy minimisation in different space groups using the program CRYSCA. Subsequently, the structure was refined by the Rietveld method using restraints. The compound crystallises in a herringbone pattern in Pbcn with a = 30.117(1) angstrom, b = 9.723(2) angstrom, c = 9.511(3) angstrom, Z = 4 with the molecule on an inversion centre. The insolubility and the solid-state fluorescence can be explained from the crystal structure.

引用

页码：539 / 545

页数：7

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