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. shu

Syntheses and Crystal Structure of a New Molecular Clip Based on Diethoxycarbonyl Glycoluril: C₅₄H₃₈N₈O₆·H₂O

1.
Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, China

Corresponding author: ZHANG Jian-Ming,
Received Date: 18 September 2013
Available Online: 9 February 2014
Fund Project:

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, M_r=912.94, F(000)=952, T=298(2) K, D_c=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.
- glycoluril derivatives,
- molecular clips,
- X-ray crystal structure
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