Packing polymorphism in the crystal structure of 4,5-dimeth­oxy-2-nitro­benzyl acetate

Acta Crystallographica Section E: Crystallographic Communications

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