4′-Methylbiphenyl-2-carboxylic acid

Abstract

The title compound, C14H12O2, is used as an intermediate for the synthesis of various biologically active and pharmaceutical compounds. Bond lengths and angles adopt usual values. The dihedral angles between the two aromatic rings [53.39 (3)°] and between the carboxyl group and adjacent ring [42.37 (10)°] lie in the expected ranges. The crystal structure is characterized by centrosymmetric hydrogen‐bonded dimers.

Vibrational spectra, HOMO, LUMO, NBO, MEP analysis and molecular docking study of 2,2-diphenyl-4-(piperidin-1-yl)butanamide

“…The piperidine ring is a feature of oral anesthetics and narcotic analgesics [10,11] and the derivatives are used clinically to prevent post operative vomiting, to speed up gastric emptying before anesthesia, to facilitate radiological investigation and to correct variety of disturbances of gastrointestinal functions [12]. The crystal structures of N,N-diphenylacetamide [13], 4,4 0 -dime thylbiphenyl-2,2 0 -dicarboxylic acid [14], 4 0 -methylbiphenyl-2-car boxylic acid [15] and 4 0 -(2-butyl-4-chloro-5-formylimidazol-1-yl methyl) biphenyl-2-carbonitrile [16], 2-hydroxy-N-(3-oxo-1-thi a-4-azaspiro [4,5]dec-4-yl)2,2-diphenylacetamide [17] and 2-chlor o-N-[4-chloro-2(2-chlorobenzoyl)phenyl]acetamide [18] have been reported. The crystal structure of the title compound is reported by Siddegowda et al [19].…”

2-(4-Methylphenyl)benzonitrile

“…For the synthesis of pharmaceutically active compounds, see: Gillis & Markham (1997); Markham & Goa (1997). For related structures, see: Gerkin (1998); Narasegowda et al (2005); Yathirajan et al (2005). For standard bond lengths, see Allen et al (1987).…”

“…(Gillis & Markham, 1997;Markham & Goa, 1997). The crystal structures of 4,4′-dimethylbiphenyl-2,2′-dicarboxylic acid (Gerkin, 1998), 4′-methylbiphenyl-2-carboxylic acid (Narasegowda et al, 2005) and 4′-(2-butyl-4-chloro-5-formylimidazol-1-ylmethyl)biphenyl-2-carbonitrile (Yathirajan et al, 2005) have been reported. In view of its importance in order to determine the conformation of this molecule, a crystal structure determination of (I) is reported.…”

2,2-Diphenyl-4-(piperidin-1-yl)butanamide

“…For the biological activity and pharmaceutical applications of compounds similar to the title compound, see: Guzel et al (2006). For related structures, see: Akkurt et al (2007); Dutkiewicz et al (2010); Gerkin (1998); Krigbaum et al (1968); Narasegowda et al (2005); Yathirajan et al (2005). For standard bond lengths, see Allen et al (1987).…”

“…The synthesis and antimycobacterial activity of some new related 2,2-diphenylacetamide derivatives has been described (Guzel et al, 2006). The crystal structures of N,N-diphenylacetamide (Krigbaum et al, 1968), 4,4′-dimethylbiphenyl-2,2′-dicarboxylic acid (Gerkin, 1998), 4′-methylbiphenyl-2-carboxylic acid (Narasegowda et al, 2005) and 4′-(2-butyl-4-chloro-5-formylimidazol-1-ylmethyl) biphenyl-2-carbonitrile (Yathirajan et al, 2005), 2-hydroxy-N-(3-oxo-1-thia-4-azaspiro[4.5]dec-4-yl)-2,2-diphenylacetamide (Akkurt et al, 2007) and 2-chloro-N-[4-chloro-2-(2-chlorobenzoyl) phenyl]acetamide (Dutkiewicz et al, 2010) have been reported. In view of the importance of the title compound, (I), C 21 H 26 N 2 O, a new crystal structure determination is reported.…”