Packing polymorphism in the crystal structure of 4,5-dimeth-oxy-2-nitro-benzyl acetate.

ABSTRACT: The title compound, C11H13NO6, shows two polymorphs, orange and yellow forms, both of which crystallize in the space group P21/c. The mol-ecular 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, mol-ecules are linked by an inter-molecular C-H?O inter-action into a helical chain along the b-axis direction. The chains are stacked along the c axis through a ?-? inter-action [centroid-centroid distance = 3.6087?(11)?Å], forming a layer parallel to the bc plane. In the yellow crystal, mol-ecules are connected through C-H?O inter-actions into a sheet structure parallel to (-302). No significant ?-? inter-action 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.

SUBMITTER: Kasuga NC 

PROVIDER: S-EPMC4420102 | biostudies-literature | 2015 May

REPOSITORIES: biostudies-literature