Electron density studies on hydrogen bonding in two chromone derivatives

被引：19

作者：

Malecka, Magdalena ^{[1
]}

Checinska, Lilianna ^{[1
]}

Rybarczyk-Pirek, Agnieszka ^{[1
]}

Morgenroth, Wolfgang ^{[2
]}

Paulmann, Carsten ^{[3
,4
]}

机构：

[1] Univ Lodz, Dept Struct Chem & Crystallog, PL-90131 Lodz, Poland

[2] Goethe Univ Frankfurt, Dept Geosci, D-60438 Frankfurt, Germany

[3] DESY HASYLAB, D-22603 Hamburg, Germany

[4] Univ Hamburg, Mineral Petrog Inst, D-20146 Hamburg, Germany

来源：

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS | 2010年 / 66卷

关键词：

electron density; hydrogen bonding; chromones; resonance-assisted hydrogen bonds; INTRAMOLECULAR H-BONDS; X-RAY; CHARGE-DENSITY; COUMARIN DERIVATIVES; MOLECULAR-STRUCTURES; TOPOLOGICAL ANALYSIS; NEUTRON-DIFFRACTION; RESONANCE; CRYSTAL; DFT;

D O I：

10.1107/S0108768110040875

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The experimental electron densities of two chromone derivatives have been determined from X-ray synchrotron diffraction data at low temperature (100 K). Topological analysis of the electron density has been used to analyze the formation of resonance-assisted hydrogen bonds (RAHBs). Geometrical and topological parameters confirm pi-electron delocalization within the hydrogen-bonded ring. In addition, weak C-H...O interactions were identified in both structures. Hydrogen-bond energies allowed medium and weak hydrogen bonds to be distinguished.

引用

页码：687 / 695

页数：9

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