Molecular structure and electronic structure of 2-pyridine-carbaldehyde thiosemicarbazone
Journal Article
·
· J. Struct. Chem. (Engl. Transl.); (United States)
In a continuation of research into the relationship between the molecular structure, electronic structure, and antitumor activity of the thiosemicarbazones of ..cap alpha..-(N)-heterocyclic aldehydes an x-ray crystallographic investigation of 2-pyridinecarbaldehyde thiosemicarbazone monohydrate was undertaken, and the electronic structure of the thiosemicarbazone molecule was calculated by a quantum-chemical method. The compound exhibits clearly defined activity against sarcoma 180.
- Research Organization:
- V. I. Lenin Kishinev State Univ. (USSR)
- OSTI ID:
- 5355075
- Journal Information:
- J. Struct. Chem. (Engl. Transl.); (United States), Vol. 28:1; Other Information: Translated from Zh. Strukt. Khim.; 28: No.1, 140-142(Jan-Feb 1987)
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
36 MATERIALS SCIENCE
74 ATOMIC AND MOLECULAR PHYSICS
SEMICARBAZONES
ATOMIC MODELS
ELECTRONIC STRUCTURE
MOLECULAR STRUCTURE
MONOCLINIC LATTICES
ANTINEOPLASTIC DRUGS
BIOCHEMISTRY
BIOLOGICAL EFFECTS
BOND ANGLE
BOND LENGTHS
C CODES
COMPUTERIZED SIMULATION
CONFIGURATION INTERACTION
INTERATOMIC DISTANCES
MOLECULAR MODELS
PYRIDINES
QUANTUM MECHANICS
SARCOMAS
THIOLS
X-RAY DIFFRACTION
AZINES
CARBONIC ACID DERIVATIVES
CHEMISTRY
COHERENT SCATTERING
COMPUTER CODES
CRYSTAL LATTICES
CRYSTAL STRUCTURE
DIFFRACTION
DIMENSIONS
DISEASES
DISTANCE
DRUGS
HETEROCYCLIC COMPOUNDS
LENGTH
MATHEMATICAL MODELS
MECHANICS
NEOPLASMS
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
ORGANIC SULFUR COMPOUNDS
SCATTERING
SIMULATION
400201* - Chemical & Physicochemical Properties
360602 - Other Materials- Structure & Phase Studies
640302 - Atomic
Molecular & Chemical Physics- Atomic & Molecular Properties & Theory
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
36 MATERIALS SCIENCE
74 ATOMIC AND MOLECULAR PHYSICS
SEMICARBAZONES
ATOMIC MODELS
ELECTRONIC STRUCTURE
MOLECULAR STRUCTURE
MONOCLINIC LATTICES
ANTINEOPLASTIC DRUGS
BIOCHEMISTRY
BIOLOGICAL EFFECTS
BOND ANGLE
BOND LENGTHS
C CODES
COMPUTERIZED SIMULATION
CONFIGURATION INTERACTION
INTERATOMIC DISTANCES
MOLECULAR MODELS
PYRIDINES
QUANTUM MECHANICS
SARCOMAS
THIOLS
X-RAY DIFFRACTION
AZINES
CARBONIC ACID DERIVATIVES
CHEMISTRY
COHERENT SCATTERING
COMPUTER CODES
CRYSTAL LATTICES
CRYSTAL STRUCTURE
DIFFRACTION
DIMENSIONS
DISEASES
DISTANCE
DRUGS
HETEROCYCLIC COMPOUNDS
LENGTH
MATHEMATICAL MODELS
MECHANICS
NEOPLASMS
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
ORGANIC SULFUR COMPOUNDS
SCATTERING
SIMULATION
400201* - Chemical & Physicochemical Properties
360602 - Other Materials- Structure & Phase Studies
640302 - Atomic
Molecular & Chemical Physics- Atomic & Molecular Properties & Theory