Neutron Diffraction Studies on Guest-Induced Distortions in Urea Inclusion Compounds

被引：8

作者：

Lee, Rachael ^{[1
,2
]}

Mason, Sax A. ^{[3
]}

Mossou, Estelle ^{[3
]}

Lamming, Glenn ^{[2
]}

Probert, Michael R. ^{[2
]}

Steed, Jonathan W. ^{[1
]}

机构：

[1] Univ Durham, Dept Chem, South Rd, Durham DH1 3LE, England

[2] Newcastle Univ, Sch Chem, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England

[3] Inst Laue Langevin, BP 156, F-38042 Grenoble 9, France

来源：

CRYSTAL GROWTH & DESIGN | 2016年 / 16卷 / 12期

关键词：

LOW-TEMPERATURE; STRUCTURAL-PROPERTIES; HIGH-PRESSURE; COMPOUNDS OC(NH2)2+CNH2N+2; CRYSTAL-STRUCTURE; ORGANIC-SOLIDS; COMMENSURATE; MOLECULES; BEHAVIOR; PHASE;

D O I：

10.1021/acs.cgd.6b01371

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Single crystal neutron structures at several temperatures have been determined for beta-phase urea inclusion compounds containing hexadecane, 1,6-dibromohexane, and 2,7-octanedione guests. The neutron structure of the "partial channel" cocrystal of urea and DMF is also reported. Here we present an in-depth discussion and analysis of the structure and bonding of this urea series, in particular, how the guest compound affects the symmetry and hydrogen bonding of the host urea network. Additionally, we address the challenge of obtaining crystals suitable for neutron diffraction and present a new heating/cooling device to aid crystallization.

引用

页码：7175 / 7185

页数：11

共 32 条

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