Analytical Sciences X-ray Structure Analysis Online · 2008 · 11 citations · 4 references
Crystal StructureAsymmetric UnitEngineeringBiochemistryNatural SciencesStructure DeterminationStructure ElucidationOrganic ChemistryMain Group ChemistryChemistryTitle CompoundCrystallographyCrystal Structure Design
The crystal structure of the title compound, C14H12N2O4, was determined by a single-crystal X-ray diffraction technique, (Fig. 1). The title compound crystallizes in the orthorhombic space group Pca21 with the following unit-cell parameters: a = 18.4391(15)Å, b = 4.2710(2)Å, c = 32.2187(16)Å and V = 2537.3(3)Å3. The crystal data were solved with a final R = 0.062 using 2394 independent reflections. There are two molecules in the asymmetric unit. The title compound adopts the keto-amine tautomeric form. In the structure, there are N-H…O and C-H…O intramolecular hydrogen bonds and C-H…O intermolecular hydrogen bonds.
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M. Nardelli · Journal of Applied Crystallography · 1995 · 3.2K citations
Crystal Structure, Engineering, Crystal Structure Analyses +11