Anilinium-3-carboxylate 3-carboxyanilinium nitrate
نویسندگان
چکیده
The title compound, C7H8NO2(+)·NO3(-)·C7H7NO2, exists in the form of a protonated dimer of two anilinium-3-carboxyl-ate mol-ecules related by an inversion center, and a nitrate anion located on a twofold rotation axis. The bridging H atom occupies, with equal probability, the two sites associated with the carboxyl atoms. In addition to the strong O-H⋯O hydrogen bond, in the crystal, the various units are linked via N-H⋯O and C-H⋯O hydrogen bonds forming a three-dimensional structure.
منابع مشابه
3-Methylanilinium nitrate
In the title compound, C(7)H(10)N(+)·NO(3) (-), the 3-methyl-anilinium cations inter-act with the nitrate anions through strong bifurcated N(+)-H⋯(O,O) hydrogen bonds, forming a two-dimensional hydrogen-bonded network.
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In the crystal structure of the title compound, C(14)H(13)N(2)O(+)·NO(3) (-), N-H⋯O and O-H⋯O hydrogen bonds link cations and anions into a two-dimensional network parallel to (100). The dihedral angle between the rings is 9.48 (2)°.
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The asymmetric unit of the title compound, C(7)H(10)N(+)·NO(3) (-), consists of a 4-methyl-anilinium cation protonated at the amino group and a nitrate anion. In the crystal, anions and cations are linked through N-H⋯O and N-H⋯(O,O) hydrogen bonds, buiding a corrugated layer structure parallel to (001).
متن کامل3-(Dihydroxyboryl)anilinium 6-carboxypyridine-2-carboxylate
In the anion of the title molecular salt, C(6)H(9)BNO(2) (+)·C(7)H(4)NO(4) (-), the dihedral angles between the -COO(2-) and -CO(2)H groups and their attached ring are 4.02 (13) and 21.41 (10)°, respectively. The B atom in the cation adopts a syn-syn geometry and the dihedral angle between the -B(OH)(2) group and its attached ring is 11.06 (5)°. In the crystal, O-H⋯O, N-H⋯O and N-H⋯N hydrogen b...
متن کاملDensity Functional Theory and ab initio Hartree-Fock Calculations of Molecular Structure and Vibrational Spectra of Anilinium Nitrate
The molecular geometry, vibrational frequencies, infrared intensities, Raman scattering activities and several thermodynamic parameters of anilinium nitrate in the ground state have been calculated by both Hartree-Fock (HF) and three density functional theory (DFT) methods (B3LYP, BLYP and B3PW91) using the 6-31G(d) basis set. The results of the optimized molecular structure are presented and c...
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