Citation: 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[J]. Chinese Journal of Structural Chemistry, ;2016, 35(4): 545-549. doi: 10.14102/j.cnki.0254-5861.2011-0925 shu

Crystal Structure of 3-(4-Methoxyphenyl)-2-(4-methylbenzoyl)-6,7-dihydro-5H-furo[3,2-g]chromene

1.
Key Laboratory of Structure-based Drug Design & Discovery, Ministry of Education;Shenyang Pharmaceutical University, Shenyang 110016, China

Corresponding author: JIN Zhe, HU Chun,
Received Date: 4 August 2015
Available Online: 25 December 2015
Fund Project: This work was supported by the National Natural Science Foundation of China (No. J1103606) (No. J1103606)

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 P1 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)°, 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.
- furo[3,2-g]chromene,
- crystal structure,
- dihedral angle,
- bioactivity
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