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3-Hydr-oxy-3-nitro-methyl-indolin-2-one.

Ying Tang1, Gang Chen, Jie Zhang

  • 1Xi'an Shiyou University, College of Chemistry and Chemical Engineering, Dianzi'er Road No. 18 Xi'an 710065, Xi'an, People's Republic of China.

Acta Crystallographica. Section E, Structure Reports Online
|May 18, 2011
PubMed
Summary

The crystal structure of C(9)H(8)N(2)O(4) reveals a planar indolin-2-one ring. Intermolecular hydrogen bonds form a stable three-dimensional network in the solid state.

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Area of Science:

  • Crystallography
  • Solid-state chemistry
  • Organic chemistry

Background:

  • The indolin-2-one scaffold is a key structural motif in many biologically active compounds.
  • Understanding the solid-state packing and intermolecular interactions is crucial for predicting material properties and designing new molecules.

Purpose of the Study:

  • To characterize the crystal structure of the title compound, C(9)H(8)N(2)O(4).
  • To investigate the intermolecular interactions governing the crystal packing.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
  • Analysis of hydrogen bonding networks and planarity of the indolin-2-one ring system.

Main Results:

  • The indolin-2-one ring system in C(9)H(8)N(2)O(4) exhibits substantial planarity, with a maximum deviation of 0.0353(15) Å.
  • The crystal structure is characterized by the formation of a three-dimensional network facilitated by intermolecular N-H⋯O and O-H⋯O hydrogen bonds.

Conclusions:

  • The planar nature of the indolin-2-one core is maintained in the solid state.
  • The extensive hydrogen bonding network dictates the overall crystal architecture and stability.