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Ammonium 2-(3,4-di-methyl-benzo-yl)benzoate dihydrate.

ABSTRACT: In the anion of the title compound, NH4 (+)·C16H13O3 (-)·2H2O, the benzene rings are twisted with respect to each other by 73.56 (10)°. In the crystal, extensive N-H⋯O and O-H⋯O hydrogen bonds link the cations, anions and lattice water mol-ecules into a three dimensional supra-molecular structure.

SUBMITTER: Zhang MH

PROVIDER: S-EPMC3684941 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3,4-Di-methyl-phenyl benzoate.

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Crystal structure of 4-(di-methyl-amino)-pyridinium 4-amino-benzoate dihydrate.

Project description:In the title hydrated mol-ecular salt, C7H11N2 (+)·C7H6NO2 (-)·2H2O, the cation is protonated at the pyridine N atom and the dihedral angle between the benzene ring and the CO2 (-) group in the anion is 8.5 (2)°. In the crystal, the cation forms an N-H⋯O hydrogen bond to the anion and the anion forms two N-H⋯O hydrogen bonds to adjacent water mol-ecules. Both water mol-ecules form two O-H⋯O hydrogen bonds to carboxyl-ate O atoms. In combination, these hydrogen bonds generate a three-dimensional network and two weak C-H⋯π inter-actions are also observed.

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Project description:The mol-ecular conformation of the title compound, C(18)H(18)N(2)O(3)S, is stabilized by an intra-molecular N-H⋯O hydrogen bond. The crystal packing shows centrosymmetric dimers connected by N-H⋯S hydrogen bonds. The terminal eth-oxy substituents are statistically disordered [occupancy ratio 0.527 (5):0.473 (5)].

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2-Methyl-3-(2-methyl-phen-yl)-4-oxo-3,4-dihydro-quinazolin-8-yl benzoate.

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Triethyl-ammonium 3,4-dihy-droxy-benzoate.

Project description:In the title compound, C(6)H(16)N(+)·C(7)H(5)O(4) (-), the hy-droxy groups of the 3,4-dihy-droxy-benzoate anion form O-H?O hydrogen bonds to the carboxyl-ate groups of two adjacent anions, generating layers propagating in the ac plane. The triethyl-ammonium cations lie between these layers, forming N-H?O hydrogen bonds to the carboxyl-ate groups of the anions. The structure is consolidated by weak inter-molecular C-H?O inter-actions.

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Di-n-butyl-ammonium 2-[(3,5-di-tert-butyl-4-hy-droxy-benz-yl)sulfan-yl]benzoate.

Project description:The title salt, C(8)H(20)N(+)·C(22)H(27)O(3)S(-), is a proton-transfer compound derived from the recently reported parent carb-oxy-lic acid [Alhadi et al. (2010). Acta Cryst. E66, o1787] by the addition of a second equivalent of di-n-butyl-amine, yielding the di-n-butyl-ammonium carboxyl-ate salt. The structure of the carboxyl-ate anion resembles that of the parent carb-oxy-lic acid. The main difference lies in the position of the H atom in the 4-hy-droxy group. In the anion the O-H bond is perpendicular, rather than parallel, to the benzyl ring. This position appears to facilitate hydrogen bonding to an O atom of the carboxyl-ate group of a symmetry-related anion. In addition, there are three N-H⋯O hydrogen bonds. In contrast, the neutral species hydrogen bonds via a carboxylic acid dimer. The dihedral angle between the benzene rings in the anion is 79.19 (7)°.

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