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

ABSTRACT: 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].

SUBMITTER: Foroughian M

PROVIDER: S-EPMC3238974 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2,3-Diamino-pyridinium 4-carb-oxy-butano-ate.

Project description:In the title mol-ecular salt, C(5)H(8)N(3) (+)·C(5)H(7)O(4) (-), the 2,3-diamino-pyridine mol-ecule is protonated at the pyridine N atom. The cation is essentially planar, with a maximum deviation of 0.015?(2)?Å, and the anion adopts an extended conformation. In the crystal, the hydrogen glutarate (4-carb-oxy-butano-ate) anions are self-assembled through O-H?O hydrogen bonds, forming chains. The cations are connected to the anion chains via N-H?O hydrogen bonds, forming a three-dimensional network. The crystal structure also features aromatic ?-? inter-actions between the pyridinium cations, with a centroid-centroid distance of 3.4464?(10)?Å.

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2,3-Diamino-pyridinium 4-meth-oxy-quinoline-2-carboxyl-ate.

Project description:In the 4-meth-oxy-quinoline-2-carboxyl-ate anion of the title salt, C5H8N3(+)·C11H8NO3(-), the dihedral angle between the quinoline ring system and the carboxyl-ate group is 16.54?(15)°. In the crystal, the cations and anions are linked via N-H?O and N-H?N hydrogen bonds, forming a centrosymmetric 2 + 2 aggregate with R2(2)(9) and R4(2)(8) ring motifs. These units are further connected via N-H?O hydrogen bonds into a layer parallel to the bc plane. The crystal structure is also stabilized by weak C-H?O hydrogen bonds and ?-? inter-actions between pyridine rings [centroid-centroid distance = 3.5886?(8)?Å] and between pyridine and benzene rings [centroid-centroid distance = 3.6328?(8)?Å].

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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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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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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 3-carb-oxy-4-hy-droxy-benzene-sulfonate monohydrate.

Project description:In the title hydrated mol-ecular salt, C(5)H(8)N(3) (+)·C(7)H(5)O(6)S(-)·H(2)O, the ion pairs and water mol-ecules are connected by N-H?O, O-H?O and C-H?O hydrogen bonds, thereby forming a three-dimensional network. There is an intra-molecular O-H?O hydrogen bond in the 3-carb-oxy-4-hy-droxy-benzene-sulfonate anion, which generates an S(6) ring motif.

| S-EPMC3247506 | 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

2,6-Diamino-pyridinium 2-carb-oxy-benzoate.

Project description:In the crystal of the title mol-ecular salt, C(5)H(8)N(3) (+)·C(8)H(5)O(4) (-), the diamino-pyridine cation and the phthalate anion are linked by a pair of N-H⋯O hydrogen bonds. Within the phthalate anion, an almost symmetrical O-H⋯O hydrogen bond is observed. The ion pairs are linked by further N-H⋯O hydrogen bonds, generating a two-dimensional network lying parallel to (10).

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

Project description:In the structure of the title compound, C(5)H(7)N(2) (+)·C(8)H(11)O(4) (-), the cis anions associate through head-to-tail carb-oxy-lic acid-carboxyl O-H?O hydrogen bonds [graph set C(7)], forming chains which extend along c and are inter-linked through the carboxyl groups, forming cyclic R(2) (2)(8) associations with the pyridinium and an amine H-atom donor of the cation. Further amine-carboxyl N-H?O inter-actions form enlarged centrosymmetric rings [graph set R(4) (4)(18)] and extensions down b, giving a three-dimensional structure.

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