Citation:
XIANG Jia-Chen, WANG Jun-Gang, ZHANG Jian-Ming. Syntheses and Crystal Structure of a New Molecular Clip Based on Diethoxycarbonyl Glycoluril: C54H38N8O6·H2O[J]. Chinese Journal of Structural Chemistry,
2014, 33(4): 544-548.
Syntheses and Crystal Structure of a New Molecular Clip Based on Diethoxycarbonyl Glycoluril: C54H38N8O6·H2O
摘要:
A new glycoluril derivative 2 has been synthesized and characterized by single- crystal X-ray diffraction. It crystallizes in triclinic, space group P1 with a=13.128(7), b=13.245(7), c=14.016(8) Å, α=98.805(10), β=102.036(9), γ=101.470(10)°, V=2287(2) Å3, Z=2, C54H38N8O6·H2O, Mr=912.94, F(000)=952, T=298(2) K, Dc=1.326 g/cm3 and μ=0.090 mm-1. Due to the intermolecular C-H…O interactions, two monomeric molecular clips dimerize as a dimeric building block in the crystalline state. Those building blocks form tape-like supramolecular polymers driven by intermolecular C-H…N interactions and water molecules which stabilized in the packing structure served as hydrogen-bonding donors.
English
Syntheses and Crystal Structure of a New Molecular Clip Based on Diethoxycarbonyl Glycoluril: C54H38N8O6·H2O
Abstract:
A new glycoluril derivative 2 has been synthesized and characterized by single- crystal X-ray diffraction. It crystallizes in triclinic, space group P1 with a=13.128(7), b=13.245(7), c=14.016(8) Å, α=98.805(10), β=102.036(9), γ=101.470(10)°, V=2287(2) Å3, Z=2, C54H38N8O6·H2O, Mr=912.94, F(000)=952, T=298(2) K, Dc=1.326 g/cm3 and μ=0.090 mm-1. Due to the intermolecular C-H…O interactions, two monomeric molecular clips dimerize as a dimeric building block in the crystalline state. Those building blocks form tape-like supramolecular polymers driven by intermolecular C-H…N interactions and water molecules which stabilized in the packing structure served as hydrogen-bonding donors.
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Key words:
- glycoluril derivatives
- / molecular clips
- / X-ray crystal structure
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