منابع مشابه
Application of Hammett Constant for Prediction of Acidity Properties of Substituted Benzoic Acid
Hammett constants (σ) can be important factor to understanding substitution and position effects on benzoic acid. This report describes a computational study of ∆G◦ and σ for six substituted benzoic acid (X= F,Cl ,OH ,NH2 ,CN,NO2 )and phenylacetic acid substituted (X=OH ,NH2 ) at para and meta positions ingas and aqueousphases by DFT method and comparesit to available experimental and theoretic...
متن کامل4-(Methylamino)benzoic acid
The asymmetric unit of the title compound, C(8)H(9)NO(2), contains three crystallographically independent mol-ecules, which are essentially planar, the carboxyl O atoms deviating by 0.091 (3), 0.101 (2) and 0.164 (3) Å from the mean plane through the non-H atoms. In the crystal, all three mol-ecules form O-H⋯O hydrogen-bonded about inversion centers, forming eight-membered rings with graph-set ...
متن کامل2-(Trifluoromethyl)benzoic acid
In the title compound, C(8)H(5)F(3)O(2), a halogenated derivative of benzoic acid, the carboxyl group is tilted by 16.8 (3)° with respect to the plane of the aromatic ring. In the crystal, O-H⋯O hydrogen bonding gives rise to carb-oxy-lic acid dimers, which are further connected into double chains along [1,1/4,1] by C-H⋯O contacts. C-H⋯F and C-F⋯π contacts are also observed.
متن کامل4-(Diphenylphosphanyl)benzoic acid
In the title compound, C(19)H(15)O(2)P, the dihedral angles between the benzoic acid ring and the phenyl rings are 75.64 (7) and 80.88 (7)°; the dihedral angle between the phenyl rings is 81.35 (7)°. In the crystal, inversion dimers linked by pairs of O-H⋯O hydrogen bonds generate R(2) (2)(8) loops between the head-to-head carb-oxy-lic acid groups.
متن کامل4-(Cyclopropanecarboxamido)benzoic acid
In the title compound, C(11)H(11)NO(3), the dihedral angle between the benzene ring and the cyclo-propane ring is 63.2 (1)°. In the crystal, mol-ecules are linked through classical cyclic carb-oxy-lic acid O-H⋯O hydrogen-bond inter-actions [graph set R(2) (2)(8)] giving centrosymmetric dimers which are extended along the b-axis direction through amide N-H⋯O hydrogen-bond inter-actions, giving o...
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ژورنال
عنوان ژورنال: Canadian Journal of Chemistry
سال: 1956
ISSN: 0008-4042,1480-3291
DOI: 10.1139/v56-193