Crystal structure of a second monoclinic polymorph of 3-methoxybenzoic acid with Z′ = 1

被引:1
作者
Chia, Tze Shyang [1 ]
Kwong, Huey Chong [2 ]
Wong, Qin Ai [1 ]
Quah, Ching Kheng [1 ]
Arafath, Md Azharul [3 ]
机构
[1] Univ Sains Malaysia, Sch Phys, Xray Crystallog Unit, Usm 11800, Penang, Malaysia
[2] Univ Sains Malaysia, Sch Chem Sci, Usm 11800, Penang, Malaysia
[3] Shahjalal Univ Sci & Technol, Dept Chem, Sylhet 3114, Bangladesh
来源
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2019年 / 75卷
关键词
crystal structure; polymorph; hydrogen-bond; 3-methoxybenzoic acid;
D O I
10.1107/S2056989018016900
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
A new polymorphic form of the title compound, C8H8O3, is described in the centrosymmetric monoclinic space group P2(1)/c with Z' = 1 as compared to the first polymorph, which crystallizes with two conformers (Z' = 2) in the asymmetric unit in the same space group. In the crystal of the second polymorph, inversion dimers linked by O-H center dot center dot center dot O hydrogen bonds occur and these are linked into zigzag chains, propagating along the b-axis direction by C-H center dot center dot center dot O links. The crystal structure also features a weak pi-pi interaction, with a centroid-to-centroid distance of 3.8018 (6) angstrom. The second polymorph of the title compound is less stable than the reported first polymorph, as indicated by its smaller calculated lattice energy.
引用
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页码:8 / +
页数:7
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