Conformations and intermolecular interactions pattern in solid chloroxylenol and triclosan (API of anti-infective agents and drugs). A 35Cl NQR, 1H-14aN NQDR, X-ray and DFT/QTAIM study

Magnetic Resonance in Chemistry

Volumn 50, Issue 2, 2012, Pages 89-105

  Latosinska J N ^a   Latosinska M ^a   Tomczak, M A ^a   Seliger, J ^b,c   Zagar V ^b   Maurin, J K ^d,e  

^a ADAM MICKIEWICZ UNIVERSITY   (Poland)

^b JO EF STEFAN INSTITUTE   (Slovenia)

^c UNIVERSITY OF LJUBLJANA   (Slovenia)

^d NATIONAL MEDICINES INSTITUTE   (Poland)

^e NATIONAL CENTRE FOR NUCLEAR RESEARCH   (Poland)

Author keywords

chloroxylenol; conformation; DFT; intermolecular interactions; QTAIM; triclosan; X ray

Indexed keywords

ANTIFUNGAL AGENTS; CONFORMATIONS; ETHERS; MOLECULES; NUCLEAR QUADRUPOLE RESONANCE; PHENOLS;

CHLOROXYLENOL; CRYSTALLOGRAPHIC STRUCTURE; DENSITY-FUNCTIONAL-THEORY; INTERACTION PATTERN; INTERMOLECULAR INTERACTIONS; NUCLEAR QUADRUPOLE; QTAIM; QUANTUM THEORY OF ATOMS IN MOLECULES; RESONANCE FREQUENCIES; TRICLOSAN;

DENSITY FUNCTIONAL THEORY;

ANTIFUNGAL AGENT; ANTIINFECTIVE AGENT; CHLORINE; CHLOROXYLENOL; ISOTOPE; OXYGEN; TRICLOSAN; XYLENE;

CHEMISTRY; CONFORMATION; ELECTRON; NUCLEAR MAGNETIC RESONANCE; PROCEDURES; QUANTUM THEORY; TEMPERATURE; X RAY CRYSTALLOGRAPHY;

ANTI-BACTERIAL AGENTS; ANTIFUNGAL AGENTS; CHLORINE; CRYSTALLOGRAPHY, X-RAY; ELECTRONS; ISOTOPES; MOLECULAR CONFORMATION; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; OXYGEN ISOTOPES; QUANTUM THEORY; TEMPERATURE; TRICLOSAN; XYLENES;

EID: 84858332172     PISSN: 07491581     EISSN: 1097458X     Source Type: Journal    
DOI: 10.1002/mrc.2799     Document Type: Article

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