Search results for "N-Nitro compounds"

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Structure and properties of N-methyl-N-(4-pyridyl)-nitramine and 1,4-dihydro-1-methyl-4-nitriminopyridine

2002

Abstract The molecular structure and spectral properties of N -methyl- N -(4-pyridyl)-nitramine ( 1 ) and 1,4-dihydro-1-methyl-4-nitriminopyridine ( 3 ) were investigated by the X-ray diffraction, FTIR, nuclear magnetic resonance (NMR) methods and DFT theoretical calculations. N -methyl- N -(4-pyridyl)-nitramine ( 1 ) crystallises in the orthorhombic Pbca space group. It is composed of two planar fragments; nitramino (N 2 O 2 ) group and the pirydyl ring. These two groups are twisted at about 70° with respect to each other, along the Ar–N bond. On the contrary, in compound 3 , they are coplanar to each other. Twist of the nitramino group in 1 with respect to the pirydyl ring leads to a sign…

chemistry.chemical_classificationDouble bondChemistryStereochemistryNMR spectraOrganic ChemistryCarbon-13 NMRRing (chemistry)DFT calculationsAnalytical ChemistryInorganic ChemistryBond lengthNMR spectra databaseCrystallographychemistry.chemical_compoundFTIR spectraPyridineMoleculeOrthorhombic crystal systemX-ray structureN-Nitro compoundsSpectroscopyJournal of Molecular Structure
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