A Z′ = 6 crystal structure of (E)-N,N′-dicyclohexylacetamidine

Journal of Molecular Structure

Volumn 1031, Issue , 2013, Pages 239-245

  Krasnopolski, Michael ^a   Seidel, Rüdiger W ^a   Goddard, Richard ^b   Breidung, Jürgen ^b   Winter, Manuela V ^a   Devi, Anjana ^a   Fischer, Roland A ^a  

^a RUHR UNIVERSITY BOCHUM   (Germany)

^b MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

Author keywords

Acetamidine; Crystal structure; DFT calculations; Hydrogen bonding; IR spectroscopy; Thermal analysis

Indexed keywords

ACETAMIDINE; ASYMMETRIC UNIT; CENTROSYMMETRIC; CRYSTAL AND MOLECULAR STRUCTURE; CYCLOHEXYL; DENSITY FUNCTIONAL THEORIES (DFT); DFT CALCULATION; FREQUENCY CALCULATIONS; ISOLATED MOLECULES; POWDER X RAY DIFFRACTION; SINGLE CRYSTAL X-RAY ANALYSIS; SPACE GROUPS; STRUCTURE OPTIMISATION; TRICLINIC STRUCTURES;

CRYSTALLINE MATERIALS; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; INFRARED SPECTROSCOPY; MOLECULES; SINGLE CRYSTALS; STRUCTURAL OPTIMIZATION; THERMOANALYSIS; X RAY DIFFRACTION;

CRYSTAL STRUCTURE;

EID: 84869879371     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2012.10.003     Document Type: Article

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