Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: Importance of C-H•••O, C-H•••F, and F•••F intermolecular regions

Journal of Physical Chemistry A

Volumn 115, Issue 45, 2011, Pages 12852-12863

  Hathwar, Venkatesha R ^a   Thakur, Tejender S ^a   Dubey, Ritesh ^a   Pavan, Mysore S ^a   Guru Row, Tayur N ^a   Desiraju, Gautam R ^a  

^a INDIAN INSTITUTE OF SCIENCE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CO-CRYSTALS; DATA SETS; DENSITY PARAMETERS; FLUOROBENZOIC ACIDS; HIGH RESOLUTION; INFINITE CHAINS; INTRAMOLECULAR INTERACTIONS; ISONICOTINAMIDE; MULTIPOLES; SUPRAMOLECULAR SYNTHONS; SYNTHONS; TOPOLOGICAL ANALYSIS;

SUPRAMOLECULAR CHEMISTRY;

CHARGE DENSITY;

BENZOIC ACID DERIVATIVE; ISONICOTINAMIDE; NICOTINAMIDE;

ARTICLE; CHEMISTRY; CRYSTALLIZATION; MACROMOLECULE; QUANTUM THEORY;

BENZOIC ACIDS; CRYSTALLIZATION; MACROMOLECULAR SUBSTANCES; NIACINAMIDE; QUANTUM THEORY;

EID: 80855164485     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp2039866     Document Type: Article

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