2-[(1H-Benzimidazol-2-ylmethyl)-amino]-benzoic acid methyl ester: Crystal structure, DFT calculations and biological activity evaluation

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 81, Issue 1, 2011, Pages 754-763

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

^a CAIRO UNIVERSITY   (Egypt)

Author keywords

Antibacterial; Benzimidazole; GIAO NMR; NBO

Indexed keywords

ANTI-BACTERIAL ACTIVITY; ANTIBACTERIAL; ANTIBACTERIAL AGENT; BASIS SETS; BENZIMIDAZOLES; BENZOIC ACID; DFT CALCULATION; ELECTRONIC TRANSITION; EXPERIMENTAL VALUES; FRONTIER MOLECULAR ORBITALS; METHYL ESTERS; NATURAL BOND ORBITAL; NBO; QUANTUM-MECHANICAL CALCULATION; SPECTRAL METHODS; TITLE COMPOUNDS; VIBRATIONAL WAVENUMBERS; X-RAY STRUCTURE;

CARBOXYLIC ACIDS; ESTERIFICATION; ESTERS; MOLECULAR ORBITALS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; SPECTROSCOPY; STRUCTURAL PROPERTIES; X RAY CRYSTALLOGRAPHY;

CRYSTAL STRUCTURE;

2 ((1H BENZIMIDAZOL 2 YLMETHYL)AMINO)BENZOIC ACID METHYL ESTER; 2-((1H-BENZIMIDAZOL-2-YLMETHYL)AMINO)BENZOIC ACID METHYL ESTER; ANTHRANILIC ACID DERIVATIVE; ANTIINFECTIVE AGENT; BENZIMIDAZOLE DERIVATIVE; BENZOIC ACID; BENZOIC ACID DERIVATIVE; ETHER DERIVATIVE;

ARTICLE; BIOLOGICAL MODEL; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CRYSTALLIZATION; DRUG EFFECT; GRAM NEGATIVE BACTERIUM; GROWTH, DEVELOPMENT AND AGING; MICROBIOLOGICAL EXAMINATION; MOLECULAR DYNAMICS; QUANTUM THEORY; X RAY CRYSTALLOGRAPHY;

ANTHRANILIC ACIDS; ANTI-INFECTIVE AGENTS; BENZIMIDAZOLES; BENZOATES; BENZOIC ACID; CRYSTALLIZATION; CRYSTALLOGRAPHY, X-RAY; GRAM-NEGATIVE BACTERIA; METHYL ETHERS; MICROBIAL SENSITIVITY TESTS; MODELS, BIOLOGICAL; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; QUANTUM THEORY;

EID: 80052946017     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.07.021     Document Type: Article

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