Journal of Chemical Crystallography p. 649 - 653 (2011)
Update date:2022-09-26
Topics:
Xiao, Zhu-Ping
Peng, Zhi-Yun
Liu, Zhu-Xiang
Chen, Li-Hua
Zhu, Hai-Liang
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) A, b = 12.996(3) A, c = 8.0900(16) A, β = 91.06(3)°, V = 2941.4(10) A3, 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 2 2 (10). The dimers are further assembled into a chain of edge-fused R 4 4 (34) rings running along the [001] direction. The final three-dimensional supramolecular architecture is stabilized by weak π-π interactions. Graphical Abstract: The dimers were assembled into a chain of edge-fused R 4 4 (34) rings running along the [001] direction and a co-chain is formed with an "x" pattern of the cross section.
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