Molecular structure of 2-chloromethyl-1H-benzimidazole hydrochloride: Single crystal, spectral, biological studies, and DFT calculations

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 86, Issue , 2012, Pages 605-613

  Abdel Ghani, Nour T ^a   Mansour, Ahmed M ^a  

^a CAIRO UNIVERSITY   (Egypt)

Author keywords

Benzimidazole; Crystal structure; Hydrogen bonding; NBO; TD DFT

Indexed keywords

ANTI-BACTERIAL ACTIVITY; ANTIBACTERIAL AGENT; BASIS SETS; BENZIMIDAZOLES; BIOLOGICAL STUDIES; DFT CALCULATION; DIFFERENT SOLVENTS; ELECTRONIC TRANSITION; FRONTIER MOLECULAR ORBITALS; GEOMETRICAL STRUCTURE; HARMONIC VIBRATIONAL FREQUENCIES; HYDROGEN BONDINGS; INFINITE CHAINS; INTERMOLECULAR HYDROGEN BONDS; MONOCLINIC SPACE GROUPS; NATURAL BONDING ORBITALS; NBO; NMR CHEMICAL SHIFTS; POLARIZABLE CONTINUUM MODEL; STRUCTURAL STUDIES; TD-DFT; TITLE COMPOUNDS;

CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; MOLECULAR ORBITALS; SINGLE CRYSTALS; X RAY CRYSTALLOGRAPHY;

CRYSTAL STRUCTURE;

2 CHLOROMETHYL 1H BENZIMIDAZOLE HYDROCHLORIDE; 2-CHLOROMETHYL-1H-BENZIMIDAZOLE HYDROCHLORIDE; ANTIINFECTIVE AGENT; BENZIMIDAZOLE DERIVATIVE; SOLVENT;

ABSORPTION; ARTICLE; BACTERIUM; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DRUG EFFECT; ELECTRON; HYDROGEN BOND; INFRARED SPECTROPHOTOMETRY; MICROBIOLOGICAL EXAMINATION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; SURFACE PROPERTY; VIBRATION; X RAY CRYSTALLOGRAPHY;

ABSORPTION; ANTI-INFECTIVE AGENTS; BACTERIA; BENZIMIDAZOLES; CRYSTALLOGRAPHY, X-RAY; ELECTRONS; HYDROGEN BONDING; MAGNETIC RESONANCE SPECTROSCOPY; MICROBIAL SENSITIVITY TESTS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; SOLVENTS; SPECTROPHOTOMETRY, INFRARED; SURFACE PROPERTIES; VIBRATION;

EID: 83655167408     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.11.024     Document Type: Article

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