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Packing polymorphism in the crystal structure of 4,5-dimethoxy-2-nitrobenzyl acetate
- Source :
- Acta Crystallographica Section E: Crystallographic Communications, Acta Crystallographica Section E: Crystallographic Communications, Vol 71, Iss 5, Pp 483-486 (2015)
- Publication Year :
- 2015
- Publisher :
- International Union of Crystallography (IUCr), 2015.
-
Abstract
- The title compound shows two packing polymorphs, in which the mol­ecular structures are planar and essentially similar. One crystal shows inter­molecular C—H⋯O and π–π inter­actions, while the other crystal exhibits several modes of inter­molecular C—H⋯O inter­actions.<br />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.
- Subjects :
- crystal structure
C—H...O interactions
π–π interactions
General Chemistry
Crystal structure
Orange (colour)
Orange crystal
Condensed Matter Physics
packing polymorphism
Helical chain
Research Communications
Benzyl acetate
lcsh:Chemistry
2-nitrobenzyl ester
chemistry.chemical_compound
Crystallography
lcsh:QD1-999
Polymorphism (materials science)
chemistry
2-nitrobenzyl ester
C—H⋯O interactions
π–π interactions
Sheet structure
Nitro
General Materials Science
Subjects
Details
- ISSN :
- 20569890
- Volume :
- 71
- Database :
- OpenAIRE
- Journal :
- Acta Crystallographica Section E Crystallographic Communications
- Accession number :
- edsair.doi.dedup.....cc57d9a245e8ad4abf5c449e07aacc4e
- Full Text :
- https://doi.org/10.1107/s2056989015006714