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

ABSTRACT: 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.

SUBMITTER: Fan P

PROVIDER: S-EPMC3297954 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3-(Dihy-droxy-bor-yl)anilinium 6-carb-oxy-pyridine-2-carboxyl-ate.

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.

| S-EPMC3415001 | biostudies-literature

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.

| S-EPMC3051510 | biostudies-literature

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

Project description: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.

| S-EPMC3254532 | biostudies-literature

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].

| S-EPMC3238974 | biostudies-literature

5-Carb-oxy-1,3-bis-(carb-oxy-meth-yl)-4-imidazolinium-4-carboxyl-ate.

Project description:The title compound, C(9)H(8)N(2)O(8), was obtained by the reaction of imidazole-4,5-dicarb-oxy-lic acid and 2-chloro-acetic acid. An intra-molecular O-H?O hydrogen bond occurs. The crystal packing is stabilized by intermolecular O-H?O and C-H?O hydrogen bonds, which link mol-ecules into a three-dimensional network.

| S-EPMC3254562 | biostudies-literature

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.

| S-EPMC3011762 | biostudies-literature

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.

| S-EPMC3050251 | biostudies-literature

N,N-Dimethyl-propane-1,2-diaminium bis-(6-carb-oxy-pyridine-2-carboxyl-ate) monohydrate.

Project description:The asymmetric unit of the title proton-transfer compound, C(5)H(16)N(2) (2+)·2C(7)H(4)NO(4) (-)·H(2)O, consists of two mono-deproton-ated pyridine-2,6-dicarb-oxy-lic acid mol-ecules as anions, viz. (py-2,6-dcH)(-), one diprotonated N(1),N(1)-dimethyl-propane-1,2-diamine mol-ecule as a cation, viz. (dmpdaH(2))(2+), and one water mol-ecule. The crystal packing shows extensive O-H?O, N-H?O, N-H?N and O-H?N and weak inter-molecular C-H?O hydrogen bonds. These inter-actions link the (dmpdaH(2))(2+) cation, the (py-2,6-dcH)(-) anions and water mol-ecule and play an important role in the stabilization of crystal packing.

| S-EPMC3100043 | biostudies-literature

Acridinium 3-carb-oxy-pyrazine-2-carboxyl-ate.

Project description:The title ion pair, C(13)H(10)N(+)·C(6)H(3)N(2)O(4) (-), contains a protonated acridine cation and a 3-carb-oxy-pyrazine-2-carboxyl-ate monoanion, which are linked together through O-H⋯O, N-H⋯O and weak C-H⋯O hydrogen bonds. These hydrogen bonds generate a C(10) chain graph-set motif. The crystal structure is further stabilized by extensive π-π stacking inter-actions between nearly parallel [dihedral angle = 1.21(2)°] acridine systems. The shortest distance between the centroids of the six-membered rings within the cations is 3.6315 (8) Å. In addition, C-H⋯π edge-to-face inter-actions are present.

| S-EPMC3008091 | biostudies-literature

rac-Ammonium cis-2-carb-oxy-cyclo-hexane-1-carboxyl-ate.

Project description:In the structure of the title compound, NH(4) (+)·C(8)H(11)O(4) (-), the carboxyl and carboxyl-ate groups of the cation adopt C-C-C-O torsion angles of 174.9?(2) and -145.4?(2)°, respectively, with the alicyclic ring. The ammonium H atoms of the cations give a total of five hydrogen-bonding associations with carboxyl-ate O-atom acceptors of the anion which, together with a carboxyl O-H?O(carboxyl-ate) inter-action give sheet structures which lie in the (101) planes.

| S-EPMC3050381 | biostudies-literature

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