X-ray diffraction and spectral studies of 1-phenyl-3-methyl-4-(2',4'-dimethylphenylazo)-pyrazolone-5
Journal Article
·
· Chem. Heterocycl. Compd. (Engl. Transl.); (United States)
The molecular and crystal structures of 1-phenyl-3-methyl-4-(2',4'-dimethyl-phenylazo)pyrazolone-5 were determined. In the crystal the molecule exists as the hydrazone tautomer. The pyrazole ring is planar, and the substituents are practically coplanar with it. The molecule contains an intramolecular NH...O hydrogen bond that closes a practically planar six-membered ring (N...O, 2.77 (I), H...O 2.14 A, angle at H(N/sub (4)/) hydrogen 131/sup 0/). The x-ray diffraction data agree with the spectral data and with the CNO calculation.
- Research Organization:
- Institute of Heteroorganic Compounds, Moscow, USSR
- OSTI ID:
- 6290373
- Journal Information:
- Chem. Heterocycl. Compd. (Engl. Transl.); (United States), Journal Name: Chem. Heterocycl. Compd. (Engl. Transl.); (United States) Vol. 21:6; ISSN CHCCA
- Country of Publication:
- United States
- Language:
- English
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Journal Article
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Sun Jun 01 00:00:00 EDT 1986
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OSTI ID:22050893
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OSTI ID:22758303
Related Subjects
36 MATERIALS SCIENCE
360602 -- Other Materials-- Structure & Phase Studies
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
640302 -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
AZO COMPOUNDS
AZOLES
BINDING ENERGY
BOND ANGLE
BOND LENGTHS
CHEMICAL BONDS
CHEMICAL REACTIONS
COHERENT SCATTERING
CRYSTAL STRUCTURE
DIFFRACTION
DIMENSIONS
ELECTRONIC STRUCTURE
ELEMENTS
ENERGY
ENERGY LEVELS
EXCITED STATES
HETEROCYCLIC COMPOUNDS
HYDRAZONES
HYDROGEN
INFRARED SPECTRA
ISOMERIZATION
ISOMERS
LENGTH
MECHANICS
MOLECULAR STRUCTURE
NONMETALS
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
PYRAZOLES
QUANTUM MECHANICS
SCATTERING
SOLVATION
SPECTRA
STRUCTURAL CHEMICAL ANALYSIS
VIBRATIONAL STATES
X-RAY DIFFRACTION
360602 -- Other Materials-- Structure & Phase Studies
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
640302 -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
AZO COMPOUNDS
AZOLES
BINDING ENERGY
BOND ANGLE
BOND LENGTHS
CHEMICAL BONDS
CHEMICAL REACTIONS
COHERENT SCATTERING
CRYSTAL STRUCTURE
DIFFRACTION
DIMENSIONS
ELECTRONIC STRUCTURE
ELEMENTS
ENERGY
ENERGY LEVELS
EXCITED STATES
HETEROCYCLIC COMPOUNDS
HYDRAZONES
HYDROGEN
INFRARED SPECTRA
ISOMERIZATION
ISOMERS
LENGTH
MECHANICS
MOLECULAR STRUCTURE
NONMETALS
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
PYRAZOLES
QUANTUM MECHANICS
SCATTERING
SOLVATION
SPECTRA
STRUCTURAL CHEMICAL ANALYSIS
VIBRATIONAL STATES
X-RAY DIFFRACTION