The Synthesis and Crystal Determination of 3-Hydroxy-4-(4-methoxyphenyl)-5-(2-nitrophenyl)furan-2(5H)-one |
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Authors: | Zhu-Ping Xiao Zhi-Yun Peng Zhu-Xiang Liu Li-Hua Chen Hai-Liang Zhu |
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Institution: | (1) School of Chemistry & Chemical Engineering, Jishou University, Jishou, 416000, People’s Republic of China;(2) State Key Laboratory of Pharmaceutical Biotechnology, Nanjing University, Nanjing, 210093, People’s Republic of China |
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Abstract: | Abstract The title compound, C17H13NO6, was synthesized and structurally characterized by elemental analysis, MS, 1H NMR and single crystal X-ray diffraction. It crystallizes in monoclinic system space group C 2/c with a = 27.981(6) ?, b = 12.996(3) ?, c = 8.0900(16) ?, β = 91.06(3)°, V = 2941.4(10) ?3, Z = 8, R
1 = 0.0675, wR
2 = 0.1626, and T = 298(2) K. The X-ray structure determination revealed that the center furanone ring is nearly coplanar with p-methoxybenzene ring and forms a dihedral angle of 87.2(1)° with the nitrobenzene ring. O–H···O Intermolecular hydrogen bonds
link pairs of molecules into centrosymmetric dimers, making a graph set motif of R
22(10). The dimers are further assembled into a chain of edge-fused R
44(34) rings running along the 001] direction. The final three-dimensional supramolecular architecture is stabilized by weak
π–π interactions. |
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