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Packing polymorphism in the crystal structure of 4,5-dimethoxy-2-nitrobenzyl acetate
The title compound, C(11)H(13)NO(6), shows two polymorphs, orange and yellow forms, both of which crystallize in the space group P2(1)/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)...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420102/ https://www.ncbi.nlm.nih.gov/pubmed/25995861 http://dx.doi.org/10.1107/S2056989015006714 |
Sumario: | The title compound, C(11)H(13)NO(6), shows two polymorphs, orange and yellow forms, both of which crystallize in the space group P2(1)/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. |
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