Molecular and crystal properties of ethyl 4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate from experimental and theoretical electron densities

Acta Crystallographica Section B: Structural Science

Volumn 62, Issue 4, 2006, Pages 676-688

  Tsirelson, V G ^a   Stash, A I ^b   Potemkin, V A ^c   Rykounov, A A ^c   Shutalev, A D ^d   Zhurova, E A ^e   Zhurov, V V ^e   Pinkerton, A A ^e   Gurskaya, G V ^f   Zavodnik, V E ^b  

^a MENDELEEV UNIVERSITY OF CHEMICAL TECHNOLOGY OF RUSSIA   (Russian Federation)

^b KARPOV INSTITUTE OF PHYSICAL CHEMISTRY   (Russian Federation)

^c CHELYABINSK STATE UNIVERSITY   (Russian Federation)

^d MIREA RUSSIAN TECHNOLOGICAL UNIVERSITY   (Russian Federation)

^e UNIVERSITY OF TOLEDO   (United States)

^f ENGELHARDT INSTITUTE OF MOLECULAR BIOLOGY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

CARRIER CONCENTRATION; CRYSTAL STRUCTURE; ELECTRON ENERGY LEVELS; MOLECULAR DYNAMICS; QUANTUM THEORY; X RAY DIFFRACTION ANALYSIS;

ELECTRON-DENSITY CURVATURE; INTEGRATED ATOMIC CHARACTERISTICS; MULTIPOLE MODEL; SHARED ATOMIC INTERACTIONS;

NITROGEN COMPOUNDS;

PYRIMIDINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRICITY; HYDROGEN BOND; QUANTUM THEORY; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; ELECTROSTATICS; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PYRIMIDINES; QUANTUM THEORY;

EID: 33746054607     PISSN: 01087681     EISSN: 01087681     Source Type: Journal    
DOI: 10.1107/S0108768106016326     Document Type: Article

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