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2,2'-(1,3-Diazinane-1,3-di-yl)diaceto-nitrile: a second monoclinic polymorph
Acta Crystallographica. Section E, Structure Reports Online
|November 9, 2011
Summary
Researchers discovered a new crystal form of C(8)H(12)N(4), a monoclinic polymorph. This new form exhibits distinct unit-cell parameters and crystal packing compared to the previously known form.
Area of Science:
- Crystallography
- Materials Science
- Organic Chemistry
Background:
- Polymorphism is common in organic compounds, influencing their physical and chemical properties.
- Understanding different crystalline forms is crucial for material characterization and application.
Purpose of the Study:
- To report the discovery and structural characterization of a new monoclinic polymorph of C(8)H(12)N(4).
- To compare the structural features of the new polymorph with the previously known form.
Main Methods:
- Single-crystal X-ray diffraction was used to determine the crystal structure.
- Analysis of unit-cell parameters and crystal packing was performed.
Main Results:
- A new monoclinic polymorph of C(8)H(12)N(4) was identified in space group P2(1)/n (Z = 4).
- The hexa-hydro-pyrimidine ring adopts a chair conformation with diequatorial substitution.
- Intermolecular C-H⋯N hydrogen bonds link molecules into chains along the b axis.
- The new polymorph differs in unit-cell parameters and crystal packing from the previously reported P2(1)/c form.
Conclusions:
- The study successfully characterized a novel crystalline form of C(8)H(12)N(4).
- The findings contribute to the understanding of polymorphism in this compound and provide insights into its crystal engineering.
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