Citation: ZHAO Yu, LUO Zai-Gang, XU Feng, FANG Yu-Yu, HU Jin-Song, XU Xue-Mei. Crystal Structure and Properties of the Calix[4]arene Derivative Containing Ethyl 2-Diazo-3-(ethylamino)-3-oxopropanoate Moieties[J]. Chinese Journal of Structural Chemistry, ;2015, 34(4): 523-528. doi: 10.14102/j.cnki.0254-5861.2011-0582 shu

Crystal Structure and Properties of the Calix[4]arene Derivative Containing Ethyl 2-Diazo-3-(ethylamino)-3-oxopropanoate Moieties

1.
College of Chemical Engineering, Anhui University of Science & Technology, Huainan, Anhui 232001, China

Received Date: 22 November 2014
Available Online: 19 January 2015
Fund Project: This work was supported by the National Natural Science Foundation of China (No. 21102003) (No. 21102003)

The target compound (C₅₈H₇₄N₆O₁₀) has been structurally determined by singlecrystal X-ray diffraction. The crystal is in the monoclinic system, space group C2/c, with a=22.08(3), b=12.628(19), c=21.73(3)Å, β=106.78(3)°, C₅₈H₇₄N₆O₁₀, M_r=1015.23, D_c=1.16239 g/cm³, V=5801(14)Å³, Z=4, F(000)=2176, μ(MoKa)=0.080 mm^-1, T=293(2) K, 5107 independent reflections with 3125 observed ones (I>2σ(I)), R=0.0768 and wR=0.2305 with GOF=1.025 (R=0.1129 and wR=0.2674 for all data). The calixarene moiety maintains the symmetric cone conformation through intramolecular O-H…O and N-H…O hydrogen bonds. The thermal analysis showed that the decomposition mechanism of compound 3 is complex. Fluorescence spectra of 3 exhibited an emission band at 423 nm when excited with 360 nm radiation at room temperature in DMF.
- calix[4]arene derivative,
- thermal properties,
- fluorescence spectra,
- crystal structure
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