3-甲氧基-4-(丙-2-炔氧基)苯甲酸丙-2-炔酯。

IUCrData Pub Date : 2024-02-01 DOI:10.1107/S2414314624001639

Cresten Moodley , Alfred Muller , Yonas H. Belay , W. T. A. Harrison (Editor)

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摘要

标题化合物 C14H12O4 由不对称单元中两个晶体学上独立的分子胚珠组成，通过 C-H⋯O 相互作用连接形成二聚实体。烯丙基从苯基平面扭曲出来，二面角介于 7.92 (13) 和 25.42 (8)° 之间。在晶体中，填料沿 c 轴方向呈 "之 "字形排列。样品的绝对构型无法可靠确定。

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Prop-2-ynyl 3-methoxy-4-(prop-2-ynyloxy)benzoate

The title compound, C₁₄H₁₂O₄, was prepared via alkylation of 4-hydroxy-3-methoxybenzoic acid with propargyl bromide in the presence of K₂CO₃.

The title compound, C₁₄H₁₂O₄, comprises of two crystallographically independent molecules in the asymmetric unit, linked via C—H⋯O interactions to form dimeric entities. The allylic groups are twisted out of the phenyl planes with dihedral angles varying between 7.92 (13) and 25.42 (8)°. In the crystal, the packing follows a zigzag pattern along the c-axis direction. The absolute configuration of the sample could not be determined reliably.

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