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Acridin-10-ium 6-carb-oxy-pyridine-2-carboxyl-ate.

ABSTRACT: The title compound, C(13)H(10)N(+)·C(7)H(4)NO(4) (-), consists of a protonated acridinium cation and a 6-carb-oxy-pyridine-2-carboxyl-ate monoanion. The carboxyl-ate group of the anion appears to be delocalized on the basis of the nearly equivalent C-O bond lengths. In the crystal, the anions are connected by strong O-H?O hydrogen bonds, forming chains along the b axis. The acridinium cations are linked to the anionic chains by strong N-H?O hydrogen bonds between the carboxyl-ate group of the anion and the N-H group of the cation. Along the b axis, successive chains stack in opposite directions. Weak inter-molecular C-H?O hydrogen bonds further stabilize the crystal structure.

SUBMITTER: Ha K

PROVIDER: S-EPMC3254532 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

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Acridin-10-ium 6-carb-oxy-pyridine-2-carboxyl-ate.

Ha Kwang K

Acta crystallographica. Section E, Structure reports online 20111221 Pt 1

The title compound, C(13)H(10)N(+)·C(7)H(4)NO(4) (-), consists of a protonated acridinium cation and a 6-carb-oxy-pyridine-2-carboxyl-ate monoanion. The carboxyl-ate group of the anion appears to be delocalized on the basis of the nearly equivalent C-O bond lengths. In the crystal, the anions are connected by strong O-H⋯O hydrogen bonds, forming chains along the b axis. The acridinium cations are linked to the anionic chains by strong N-H⋯O hydrogen bonds between the carboxyl-ate group of the an ...[more]

PMID: 22259478

Similar Datasets

Acridinium 6-carb-oxy-pyridine-2-carboxyl-ate monohydrate.

Project description:The title compound, C(13)H(10)N(+)·C(7)H(4)NO(4) (-)·H(2)O or (acrH)(+)(pydcH)(-)·H(2)O, is a monohydrate of acridinium cations and a mono-deprotonated pyridine-2,6-dicarb-oxy-lic acid. The structure contains a range of non-covalent inter-actions, such as O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds, as well as π-π stacking [range of centroid-centroid distances = 3.4783 (5)-3.8059 (5) Å]. The N-H⋯O hydrogen bond between the donor acridinium cation and the carboxyl-ate acceptor is particularly strong. The average separation between the π-stacked acridinium planes is 3.42 (3) Å.

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2,3-Diamino-pyridinium 6-carb-oxy-pyridine-2-carboxyl-ate.

Project description:The asymmetric unit of the title proton-transfer compound, C(5)H(8)N(3) (+)·C(7)H(4)NO(4) (-), consists of one mono-deprotonated pyridine-2,6-dicarb-oxy-lic acid as anion and one protonated 2,3-diamino-pyridine as cation. The crystal packing shows extensive O-H⋯O, N-H⋯O and N-H⋯N hydrogen bonds. Thre are also several π-π inter-actions between the anions and also between the cations [centriod-centroid distances = 3.6634 (7), 3.7269 (7), 3.6705 (7) and 3.4164 (7) Å].

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2-(4-Carb-oxy-piperidinium-1-yl)pyridine-3-carboxyl-ate.

Project description:The title compound, C(12)H(14)N(2)O(4), crystallizes as a zwitterion. A negative charge is delocalized in the deprotonated carboxyl group attached to the pyridine ring. The piperidine N atom accepts a proton and the ring is transformed into a piperidinium cation. There is an intra-molecular N-H⋯O hydrogen bond between the protonated NH and a carboxyl-ate O atom. In the crystal, an O-H⋯O hydrogen bond between the carboxyl group and the carboxyl-ate O atom of another mol-ecule generates a helix along the b axis.

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5-Carb-oxy-2-isopropyl-1H-imidazol-3-ium-4-carboxyl-ate monohydrate.

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4-Carb-oxy-2-methyl-1H-imidazol-3-ium-5-carboxyl-ate monohydrate.

Project description:In the title compound, C(6)H(6)N(2)O(4)·H(2)O, one carboxyl group is deprotonated and one imidazole N atom is protonated. The organic mol-ecule, excluding methyl H atoms, is essentially planar, with an r.m.s. deviation of 0.0156 (1) Å. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link mol-ecules into chains along the b axis; these chains are further linked via O-H⋯O hydrogen bonds involving the water O atoms and carboxyl O atoms, generating a two-dimensional supra-molecular framework.

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Project description: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 bonds link the components into a three-dimensional network.

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2-Amino-4-methyl-pyridinium 6-carb-oxy-pyridine-2-carboxyl-ate sesquihydrate.

Project description:In the title compound, C(6)H(9)N(2) (+)·C(7)H(4)NO(4) (-)·1.5H(2)O, extensive O-H?O, O-H?N, N-H?O and C-H?O hydrogen bonds, as well as ion pairing, ?-? stacking inter-actions [centroid-centroid distances = 3.4690?(8) and 3.6932?(8)?Å between aromatic rings] occur in the crystal. There are hydrogen-bonding inter-actions between water mol-ecules, which result in cyclic tetra-meric water clusters. One of the water O molecules has half occupancy. In the anion molecules, the -CO(2) and -CO(2)H groups make torsion angles of 1.73?(18) and -12.14?(18)° with respect to the ring.

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9-Amino-acridin-10-ium 4-amino-benzo-ate dihydrate.

Project description:The asymmetric unit of the title hydrated salt, C13H11N2 (+)·C7H6NO2 (-)·2H2O, consists of two independent 9-amino-acridinium cations, two 4-amino-benzoate anions and four water mol-ecules. Both 9-amino-acridinium cations are essentially planar, with maximum deviations of 0.034 (1) and 0.025 (2) Å, and are protonated at the pyridine N atoms. The 4-amino-benzoate anions are approximately planar, with dihedral angles of 9.16 (19) and 5.4 (2)° between the benzene ring and the carboxyl-ate group. In the crystal, the two independent anions are connected by N-H⋯O hydrogen bonds, forming a layer parallel to (100). The layers are connected through the cations by N-H⋯N and N-H⋯O hydrogen bonds. The water mol-ecules, which form O-H⋯O hydrogen-bonded chains along the b-axis direction, connect the anions and the cations by O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds. The crystal structure also features π-π inter-actions [centroid-centroid distances = 3.6343 (9)-3.8366 (10) Å] and a C-H⋯π inter-action.

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3-Carb-oxy-quinolin-1-ium-2-carboxyl-ate monohydrate.

Project description:The title compound, C(11)H(7)NO(4)·H(2)O, contains a 3-carb-oxy-quinolin-1-ium-2-carboxyl-ate (qda) zwitterion and one water mol-ecule. In the crystal, pairs of N-H?O hydrogen bonds link the mol-ecules into inversion dimers, and these dimers are further connected by O-H?O hydrogen bonds into a three-dimensional supra-molecular architecture. In addition, ?-? inter-actions occur between pyridine and benzene rings from different qda ligands [centroid-centroid distance = 3.749?(1)?Å] and the dihedral angles of the -CO(2)H and -CO(2) groups to the quinoline system are 8.47?(3) and 88.16?(6)°, respectively.

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2-Amino-4-methyl-pyridinium 6-carb-oxy-pyridine-2-carboxyl-ate methanol monosolvate.

Project description:In the title solvated molecular salt, C(6)H(9)N(2) (+)·C(7)H(4)NO(4) (-)·CH(4)O, the pyridine N atom of 2-amino-4-methyl-pyridine is protonated and one carboxyl group of pyridine-2,6-dicarb-oxy-lic acid is deprotonated. The dihedral angles between the -CO(2) and -COH groups and the pyridine ring are 0.65?(13) and 7.4°. The crystal packing is stabilized by inter-molecular N-H?O, O-H?O and weak C-H?O hydrogen bonds.

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