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A synchrotron diffraction study of two polymorphic forms of 2, 5-bis

Scaccianoce1, Feeder, Teat

  • 1Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, England. lscaccia@ciam.unibo.it.

Acta Crystallographica. Section C, Crystal Structure Communications
|October 12, 2000
PubMed
Summary

Two crystalline forms of C(22)H(20)N(2)O(2) were studied using X-ray diffraction. Differences in molecular packing and intermolecular interactions, including hydrogen bonds, distinguish the alpha and gamma polymorphs.

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Area of Science:

  • Crystallography
  • Solid-state chemistry
  • Materials science

Background:

  • Polymorphism, the ability of a solid material to exist in more than one crystal form, is crucial in determining material properties.
  • Understanding the crystal structures of different polymorphs aids in predicting and controlling material behavior.

Purpose of the Study:

  • To characterize the crystal structures of the alpha and gamma polymorphs of C(22)H(20)N(2)O(2).
  • To investigate the intermolecular interactions governing the packing arrangements in each polymorph.

Main Methods:

  • Single-crystal synchrotron X-ray diffraction was employed to determine the precise atomic arrangements.
  • Analysis of intermolecular interactions, including hydrogen bonding and van der Waals forces, was performed.

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Main Results:

  • The alpha polymorph exhibits a herring-bone packing arrangement stabilized by C-H…N interactions.
  • The gamma polymorph features molecules arranged in planar sheets connected by C-H…O and C-H…N hydrogen bonds.
  • A stacking distance of 3.40 Å was observed between the sheets in the gamma polymorph.

Conclusions:

  • The study successfully elucidated the distinct crystal structures and intermolecular interactions of the alpha and gamma polymorphs.
  • The findings provide insights into structure-property relationships for C(22)H(20)N(2)O(2), relevant for materials design.