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2-Amino-4,6-dimethyl-pyridinium benzoate.

ABSTRACT: In the title compound, C(7)H(11)N(2) (+)·C(7)H(5)O(2) (-), the 2-amino-4,6-dimethyl-pyridinium cation and the benzoate anion are linked by two N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. The H atoms in both the methyl groups are rotationally disordered, with fixed site occupancies of 0.50. In the crystal structure, the mol-ecules are stabilized by inter-molecular N-H?O hydrogen bonds. A ?-? inter-action, with a centroid-centroid distance of 3.661?(2)?Å, is also observed.

SUBMITTER: Asaruddin MR

PROVIDER: S-EPMC2983164 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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2-Amino-4,6-dimethyl-pyridinium benzoate.

Asaruddin Mohd Razip MR Wahab Habibah A HA Mohamed Nornisah N Rosli Mohd Mustaqim MM Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20100904 Pt 10

In the title compound, C(7)H(11)N(2) (+)·C(7)H(5)O(2) (-), the 2-amino-4,6-dimethyl-pyridinium cation and the benzoate anion are linked by two N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. The H atoms in both the methyl groups are rotationally disordered, with fixed site occupancies of 0.50. In the crystal structure, the mol-ecules are stabilized by inter-molecular N-H⋯O hydrogen bonds. A π-π inter-action, with a centroid-centroid distance of 3.661 (2) Å, is also observed. ...[more]

PMID: 21587493

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2-Amino-4,6-dimethyl-pyridinium chloride dihydrate.

Project description:In the title hydrated mol-ecular salt, C(7)H(11)N(2) (+)·Cl(-)·2H(2)O, the pyridine N atom of the 2-amino-4,6-dimethyl-pyridine mol-ecule is protonated. The cation is essentially planar, with a maximum deviation of 0.006?(2)?Å. In the crystal, the components are linked by N-H?O, N-H?Cl and O-H?Cl hydrogen bonds, thereby forming sheets lying parallel to (100). The crystal structure is further stabilized by aromatic ?-? stacking inter-actions between the pyridinium rings [centroid-centroid distance = 3.4789?(9)?Å].

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2-Amino-4,6-dimethyl-pyrimidinium 3,5-dinitro-benzoate dihydrate.

Project description:In the title compound, C(6)H(10)N(3) (+)·C(7)H(3)N(2)O(6) (-)·2H(2)O, the amino-pyrimidine mol-ecule is protonated at one of the pyrimidine N atoms. The carboxyl-ate group of the 3,5-dinitro-benzoate anion inter-acts with the protonated pyrimidine N atom and the 2-amino group through a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) motif. Two inversion-related pyrimidine rings are linked via a pair of N-H⋯N hydrogen bonds, also forming an R(2) (2)(8) ring motif.

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Project description:In the title molecular salt, C(7)H(11)N(2) (+)·C(13)H(9)N(2)O(3) (-), the dihedral angle between the benzene rings in the anion is 35.14 (8)°. In the crystal, centrosymmetrically related anions associate via hydrox-yl-carboxyl-ate O-H⋯O hydrogen bonds, resulting in a 24-membered {⋯OC(3)N(2)C(4)OH}(2) synthon. The cations are associated with this dimeric unit via pyridinium-carboxyl-ate N-H⋯O hydrogen bonds. Weak C-H⋯O links further consolidate the packing, generating layers.

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2-Amino-4,6-dimethyl-pyrimidin-1-ium 2,3,5-triiodo-benzoate 2,3,5-triiodo-benzoic acid monosolvate.

Project description:In the crystal structure of the title compound, C(6)H(10)N(3) (+)·C(7)H(2)I(3)O(2) (-)·C(7)H(3)I(3)O(2), two R(2) (2)(8) motifs are observed. One is generated by the inter-action of the 2-amino-4,6-dimethyl-pyrimidin-1-ium cation with the carboxyl-ate group of the 2,3,5-triiodo-benzoate anion via N-H⋯O hydrogen bonds. The other R(2) (2)(8) motif is formed by the inter-action of two centrosymmentrically related pyrimidine moieties through N-H⋯N hydrogen bonds. The two motifs combine to form a linear heterotetra-meric unit. Heterotetra-meric units are linked by a carbox-yl-carboxyl-ate O-H⋯O hydrogen bond (involving the O-H group of neutral 2,3,5-triiodo-benzoic acid and an O atom of the anion), forming a supra-molecular chain along the a axis. In addition, components are held by weak I⋯O interactions in the range 3.023 (5) to 3.382 (5) Å and I⋯I inter-actions in the range 3.6327 (7) to 4.0025 (8) Å.

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2,3-Diamino-pyridinium 3-amino-benzoate.

Project description:In the title salt, C(5)H(8)N(3) (+)·C(7)H(6)NO(2) (-), the pyridine N atom of the 2,3-diamino-pyridine mol-ecule is protonated. The proton-ated N atom and one of the two N atoms of the 2-amino groups are hydrogen bonded to the 3-amino-benzoate anion through a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. The carboxyl-ate mean plane of the 3-amino-benzoate anion is twisted by 8.81?(7)° from the attached ring. The crystal structure is further stabilized by ?-? inter-actions [centroid-centroid distance 3.6827?(7)?Å].

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2-Amino-pyridinium 4-hydroxy-benzoate.

Project description:In the title compound, C(5)H(7)N(2) (+)·C(7)H(5)O(3) (-), the carboxyl-ate mean plane of the 4-hydroxy-benzoate anion is twisted by 8.78 (5)° from the attached ring. The cations and anions are linked via O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional network. In addition, π-π inter-actions involving the benzene and pyridinium rings, with centroid-centroid distances of 3.5500 (6) and 3.6594 (6) Å, are observed.

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2-Amino-5-chloro-pyridinium 4-amino-benzoate.

Project description:In the title molecular salt, C(5)H(6)ClN(2) (+)·C(7)H(6)NO(2) (-), the cations and anions are connected by cation-to-anion and anion-to-anion N-H?O hydrogen bonds into a three-dimensional network. The dihedral angle between the ring and the CO(2) group in the anion is 7.14?(7)°.

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2-Amino-5-methyl-pyridinium 2-amino-benzoate.

Project description:In the 2-amino-benzoate anion of the title salt, C(6)H(9)N(2) (+)·C(7)H(6)NO(2) (-), an intra-molecular N-H?O hydrogen bond is observed. The dihedral angle between the ring and the CO(2) group is 8.41?(13)°. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms via a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. The ion pairs are further connected via N-H?O hydrogen bonds, resulting in a donor-donor-acceptor-acceptor (DDAA) array of quadruple hydrogen bonds. The crystal structure also features a weak N-H?O hydrogen bond and a C-H?? inter-action, resulting in a three-dimensional network.

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2-Amino-4-methyl-pyridinium 4-amino-benzoate.

Project description:In the structure of the title salt, C(6)H(9)N(2) (+)·C(7)H(6)NO(2) (-), the 4-amino-benzoate anions are linked to adjacent anions and 2-amino-4-methyl-pyridinium cations via N-H?O hydrogen bonds, forming a three-dimensional supra-molecular structure. The crystal structure also shows a weak C-H?O hydrogen bond between adjacent anions. Within the 4-amino-benzoate anion, the carboxyl-ate group is twisted by 14.0?(4)° with respect to the benz-ene ring.

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2-Amino-5-bromo-pyridinium 3-amino-benzoate.

Project description:In the title salt, C(5)H(6)BrN(2) (+)·C(7)H(6)NO(2) (-), the pyridine N atom of the 2-amino-5-bromo-pyridine mol-ecule is protonated. In the crystal, the protonated N atom and the 2-amino group are hydrogen-bonded to the carboxyl-ate O atoms via a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. Two inversion-related 3-amino-benzoate anions are linked through N-H?O hydrogen-bonds, forming an R(2) (2)(14) ring motif. The crystal structure is further stabilized by ??? inter-actions involving the benzene and pyridinium rings with a centroid-centroid distance of 3.7743?(15)?Å.

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