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This study identifies a new monoclinic polymorph of C12H8N2O5, detailing its crystal structure and intermolecular hydrogen bonding. The findings contribute to understanding crystal polymorphism and molecular interactions in organic compounds.

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Area of Science:

  • Crystallography
  • Solid-state chemistry
  • Organic chemistry

Background:

  • Polymorphism in organic compounds influences material properties.
  • Understanding crystal structures is crucial for predicting chemical behavior.
  • Previous studies have reported different polymorphs of C12H8N2O5.

Purpose of the Study:

  • To characterize a new monoclinic polymorph of C12H8N2O5.
  • To determine the molecular geometry and crystal packing.
  • To investigate intermolecular interactions within the crystal structure.

Main Methods:

  • Single-crystal X-ray diffraction was used to determine the crystal structure.
  • Analysis of bond angles, distances, and hydrogen bonding interactions.
  • Comparison with previously reported polymorphs.

Main Results:

  • The new polymorph crystallizes in the monoclinic space group P21/c.
  • Aromatic rings exhibit a dihedral angle of 56.14(7)°.
  • Nitro groups are inclined at 3.86(17)° and 9.65(15)° to their respective benzene rings.
  • C-H⋯O hydrogen bonds link molecules into a three-dimensional network.

Conclusions:

  • The discovery of a new polymorph expands the known solid-state forms of C12H8N2O5.
  • The detailed structural analysis provides insights into molecular conformation and intermolecular forces.
  • This research contributes to the broader understanding of crystal engineering and polymorphism.