Acta Crystallographica Section E: Crystallographic Communications | |
Packing polymorphism in the crystal structure of 4,5-dimethoxy-2-nitrobenzyl acetate | |
Yamaguchi, K.1  Kasuga, N.C.1  Saito, Y.1  Sato, H.2  | |
[1] Department of Materials Science, Faculty of Science, Kanagawa University, Tsuchiya, Hiratsuka, Kanagawa 259-1293, Japan;Rigaku Corporation 3-9-12 Matsubara-cho, Akishima, Tokyo 196-8666, Japan | |
关键词: CRYSTAL STRUCTURE; PACKING POLYMORPHISM; 2-NITROBENZYL ESTER; [PI]-[PI] INTERACTIONS; C-H...O INTERACTIONS; | |
DOI : 10.1107/S2056989015006714 | |
学科分类:数学(综合) | |
来源: International Union of Crystallography | |
【 摘 要 】
The title compound, C11H13NO6, shows two polymorphs, orange and yellow forms, both of which crystallize in the space group P21/c. The molecular structures in the two polymorphs are essentially similar and adopt a planar structure, the maximum deviations for the non-H atoms being 0.1836 (13) and 0.1276 (13) Å, respectively, for the orange and yellow forms. In the orange crystal, molecules are linked by an intermolecular C—H⋯O interaction into a helical chain along the b-axis direction. The chains are stacked along the c axis through a π–π interaction [centroid–centroid distance = 3.6087 (11) Å], forming a layer parallel to the bc plane. In the yellow crystal, molecules are connected through C—H⋯O interactions into a sheet structure parallel to (-302). No significant π–π interaction is observed. The unit-cell volume of the orange crystal is larger than that of the yellow one, and this accounts for the predominant growth of the yellow crystal.
【 授权许可】
CC BY
【 预 览 】
Files | Size | Format | View |
---|---|---|---|
RO201904031427133ZK.pdf | 457KB | download |