The crystal structure of 3-(4-methoxyphenyl)-2-(4-methylbenzoyl)-6,7-dihydro-5H- furo[3,2-g]chromene was obtained by X-ray single-crystal diffraction. The molecule is in the triclinic crystal system, space group P with a = 11.0745(4), b = 13.0953(7), c = 15.8773(8) Å, α = 92.811(4), β = 104.815(4), γ = 111.797(4)º, Z = 4, the final R = 0.0567 and wR = 0.1540. X-ray crystal structure data revealed that one asymmetric structure unit of the title compound contained two molecules. The existence of methyl group changed the dihedral angle between furan ring and the phenyl ring at the C2 position of the furo[3,2-g]chromene scaffold as well as the conformation, and had a further influence on the bioactivity of the furo[3,2-g]chromene derivatives.
The crystal structure of 3-(4-methoxyphenyl)-2-(4-methylbenzoyl)-6,7-dihydro-5H- furo[3,2-g]chromene was obtained by X-ray single-crystal diffraction. The molecule is in the triclinic crystal system, space group P with a = 11.0745(4), b = 13.0953(7), c = 15.8773(8) Å, α = 92.811(4), β = 104.815(4), γ = 111.797(4)º, Z = 4, the final R = 0.0567 and wR = 0.1540. X-ray crystal structure data revealed that one asymmetric structure unit of the title compound contained two molecules. The existence of methyl group changed the dihedral angle between furan ring and the phenyl ring at the C2 position of the furo[3,2-g]chromene scaffold as well as the conformation, and had a further influence on the bioactivity of the furo[3,2-g]chromene derivatives.
This work was supported by the National Natural Science Foundation of China (No. J1103606),
and the Program for Innovative Research Team of the Ministry of Education of China (No. IRT_14R36)
通讯作者:
zhejin@syphu.edu.cn and chunhu@syphu.edu.cn
E-mail: chunhu1999@163.com
引用本文:
李晗悦;韩宇;金辄;王世辉;李新增;刘思宇;胡春 . Crystal Structure of 3-(4-Methoxyphenyl)-2-(4- methylbenzoyl)-6,7-dihydro-5H-furo[3,2-g]chromene[J]. 结构化学, 2016, 35(4): 545-549.
LI Han-Yue;HAN Yu;JIN Zhe;WANG Shi-Hui;LI Xin-Zeng;LIU Si-Yu;HU Chun. Crystal Structure of 3-(4-Methoxyphenyl)-2-(4- methylbenzoyl)-6,7-dihydro-5H-furo[3,2-g]chromene. CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2016, 35(4): 545-549.
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2016, Vol. 35 
