引用本文:
En Ju Wang Guang Ying Chen. Crystal structure of β-cyclodextrin-4-chlorobenzoic acid complex:Unusual C-Cl···π interaction between 4-chlorobenzoic acids in β-cyclodextrin dimer[J]. Chinese Chemical Letters,
2011, 22(7): 847-850.
doi:
10.1016/j.cclet.2011.01.016
Citation: En Ju Wang Guang Ying Chen. Crystal structure of β-cyclodextrin-4-chlorobenzoic acid complex:Unusual C-Cl···π interaction between 4-chlorobenzoic acids in β-cyclodextrin dimer[J]. Chinese Chemical Letters, 2011, 22(7): 847-850. doi: 10.1016/j.cclet.2011.01.016
Citation: En Ju Wang Guang Ying Chen. Crystal structure of β-cyclodextrin-4-chlorobenzoic acid complex:Unusual C-Cl···π interaction between 4-chlorobenzoic acids in β-cyclodextrin dimer[J]. Chinese Chemical Letters, 2011, 22(7): 847-850. doi: 10.1016/j.cclet.2011.01.016
Crystal structure of β-cyclodextrin-4-chlorobenzoic acid complex:Unusual C-Cl···π interaction between 4-chlorobenzoic acids in β-cyclodextrin dimer
摘要:
The inclusion complex of β-cyclodextrin (β-CD) with 4-chlorobenzoic acid was synthesized and its crystal structure was determined by single crystal X-ray diffraction under cryogenic condition. The complex contains two β-CDs, two 4-chlorobenzoic acids and twenty-nine water molecules in the asymmetric unit, and can be formulated as 2(C42H70O35) 2(C7H5O2Cl) 29(H2O). In the crystal lattice, two β-CDs form a face-to-face dimer jointed together through hydrogen bonding between the secondary hydroxyl groups of β-CDs. Two 4-chlorobenzoic acid molecules which contact by C-Cl···π interactions are included in the β-CD dimer cavity. The β-CD dimers are arranged in brickwork-like pattern along the crystallographic a-axis. The effect of guest molecule length on the inclusion geometry was discussed by comparative study of some β-CD complexes containing similar guests.
# 2011 En Ju Wang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.
English
Crystal structure of β-cyclodextrin-4-chlorobenzoic acid complex:Unusual C-Cl···π interaction between 4-chlorobenzoic acids in β-cyclodextrin dimer
Abstract:
The inclusion complex of β-cyclodextrin (β-CD) with 4-chlorobenzoic acid was synthesized and its crystal structure was determined by single crystal X-ray diffraction under cryogenic condition. The complex contains two β-CDs, two 4-chlorobenzoic acids and twenty-nine water molecules in the asymmetric unit, and can be formulated as 2(C42H70O35) 2(C7H5O2Cl) 29(H2O). In the crystal lattice, two β-CDs form a face-to-face dimer jointed together through hydrogen bonding between the secondary hydroxyl groups of β-CDs. Two 4-chlorobenzoic acid molecules which contact by C-Cl···π interactions are included in the β-CD dimer cavity. The β-CD dimers are arranged in brickwork-like pattern along the crystallographic a-axis. The effect of guest molecule length on the inclusion geometry was discussed by comparative study of some β-CD complexes containing similar guests.
# 2011 En Ju Wang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.
-
Key words:
- β-Cyclodextrin
- / 4-Chlorobenzoic acid
- / Inclusion complex
- / Crystal structure
- / C-Cl···π interaction
扫一扫看文章
计量
- PDF下载量: 0
- 文章访问数: 1548
- HTML全文浏览量: 44
下载:
