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Benzimidazolium 3,5-dicarb-oxy-benzoate trihydrate.

ABSTRACT: Cocrystallization of benzimidazole with benzene 1,3,5-tricarb-oxy-lic acid in slightly basic medium afforded the title compound, C(7)H(7)N(2) (+)·C(9)H(5)O(6) (-)·3H(2)O, in which one of the imidazole N atom is protonated and one carb-oxy-lic group of aromatic acid is deprotonated. In the crystal structure, inter-molecular N-H⋯O hydrogen-bonding connects the two organic components into dimers, which are further linked into a three-dimensional network by O-H⋯O and N-H⋯O inter-actions between the water mol-ecules and the dimers.

SUBMITTER: Chang H

PROVIDER: S-EPMC3006944 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3,5-Dicarb-oxy-2,6-dimethyl-pyridinium chloride dihydrate.

Project description:In the title compound, C(9)H(10)NO(4) (+)·Cl(-)·2H(2)O, both the cation and the anion have crystallographic twofold rotation symmetry; in the former, one N and one C atom lie on the rotation axis. In the crystal structure, the ions and water mol-ecules are linked via O-H?O, O-H?Cl and N-H?Cl hydrogen bonds into layers parallel to (101).

| S-EPMC2979551 | biostudies-literature

4,4'-Bipyridine-pyridine-3,5-dicarb-oxy-lic acid (3/4).

Project description:In the title compound, 3C(10)H(8)N(2)·4C(7)H(5)NO(4), the asymmetric unit contains two mol-ecules of pyridine-3,5-dicarb-oxy-lic acid and one mol-ecule of 4,4'-bipyridine in general positions together with one mol-ecule of 4,4'-bipyridine lying across a centre of inversion, thus giving a 4:3 molar ratio of pyridine-3,5-dicarb-oxy-lic acid to 4,4'-bipyridine. The dihedral angle between the bipyridine rings on general positions is 21.2?(2)°. These mol-ecular units are linked by O-H?N hydrogen bonds forming an extended two-dimensional framework in the crystal.

| S-EPMC3213482 | biostudies-literature

4-Carbamoylpiperidinium 2-carb-oxy-benzoate-benzene-1,2-dicarb-oxy-lic acid (1/1).

Project description:The asymmetric unit of the title salt adduct, C(6)H(13)N(2)O(+)·C(8)H(5)O(4) (-)·C(8)H(6)O(4), comprises one isonipecotamide cation, a hydrogen phthalate anion and a phthalic acid adduct mol-ecule. These form a two-dimensional hydrogen-bonded network through head-to-tail cation-anion-adduct mol-ecule inter-actions which include a cyclic heteromolecular amide-carboxyl-ate motif [graph set R(2) (2)(8)], conjoint cyclic R(2) (2)(6) and R(3) (3)(10) piperidinium N-H?O(carbox-yl) associations, as well as strong carboxyl O-H?O(carbox-yl) hydrogen bonds.

| S-EPMC3052136 | biostudies-literature

2-[3-(1H-Benzimidazol-2-yl)prop-yl]-1H-benzimidazol-3-ium 3,5-dicarb-oxy-benzoate-benzene-1,3,5-tricarb-oxy-lic acid-water (1/1/1).

Project description:The title compound, C(17)H(17)N(4) (+)·C(9)H(5)O(6) (-)·C(9)H(6)O(6)·H(2)O, contains a protonated 2,2'-(1,3-propanedi-yl)bis-(1H-benzimidazole) cation, a deprotonated benzene-1,3,5-tricarb-oxy-lic acid anion, a neutral benzene-1,3,5-tricarb-oxy-lic acid mol-ecule and a water mol-ecule, which are linked together through N-H?O, O-H?O and weak C-H?O hydrogen bonds into almost double sheets parallel to (4). These hydrogen-bonded sheets are packed in the crystal with the formation of centrosymmetric voids of 25.5?Å(3), which are filled by the water mol-ecules.

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Methyl 3,5-bis(cyclo-hexyl-meth-oxy)benzoate.

Project description:In the title compound, C22H32O4, the atoms of the methyl ester group and the alk-oxy O atoms are all coplanar with the central aromatic ring, with an r.m.s. deviation of 0.008?Å. Bonds to the methyl-ene and cyclo-hexyl groups are also very close to this plane, so that the mol-ecule is essentially flat, apart from the cyclo-hexyl groups. The mean planes through the cyclo-hexyl groups are tilted by 30.08?(9) and 36.14?(7)° with respect to the central aromatic ring. In the crystal, pairs of mol-ecules linked by C-H?O hydrogen bonds form planar units which are stacked along the a axis, with an average inter-planar distance of 3.549?(2)?Å. Stacking appears to be stabilized by further weak C-H?O hydrogen bonds.

| S-EPMC3998623 | biostudies-literature

Bis(benzimidazolium) naphthalene-1,5-disulfonate trihydrate.

Project description:The title compound, 2C(7)H(7)N(2) (+)·C(10)H(6)O(6)S(2) (2-)·3H(2)O, consists of two crystallographically independent benzimidazolium cations, two independent naphthalene-1,5-disulfonate dianions (both generated by inversion) and three water mol-ecules. These components construct an infinite three-dimensional framework in the crystal structure via O-H⋯O and N-H⋯O hydrogen bonds.

| S-EPMC2960975 | biostudies-literature

2-Amino-5-chloro-pyridinium 2-carb-oxy-benzoate-benzene-1,2-dicarb-oxy-lic acid (3/1).

Project description:The asymmetric unit of the title compound, 3C(5)H(6)ClN(2) (+)·3C(8)H(5)O(4) (-)·C(8)H(6)O(4), contains three independent 2-amino-5-chloro-pyridinium cations, three independent hydrogen phthal-ate anions and one phthalic acid mol-ecule. In the crystal structure, there are two kinds of supra-molecular tapes. One is formed by two independent cations with two anions through N-H?O and C-H?O hydrogen bonds. Another one is formed by the other cation and anion, and the phthalic acid mol-ecule via N-H?O, O-H?O and C-H?O hydrogen bonds. These two tapes are connected by an O-H?O hydrogen bond, forming a double-tape structure.

| S-EPMC2983198 | biostudies-literature

2-Amino-5-methyl-pyridinium 2-hydr-oxy-3,5-dinitro-benzoate.

Project description:In the title mol-ecular salt, C(6)H(9)N(2) (+)·C(7)H(3)N(2)O(7) (-), the 2-amino-5-methyl-pyridinium cation is essentially planar, with a maximum deviation of 0.023?(1)?Å. There is an intra-molecular O-H?O hydrogen bond in the 3,5-dinitro-salicylate anion, which generates an S(6) ring motif. 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. Weak inter-molecular C-H?O inter-actions help to further stabilize the crystal structure.

| S-EPMC2979276 | biostudies-literature

4,5-Dicarb-oxy-naphthalene-1,8-dicarb-oxy-lic anhydride-1,10-phenanthroline (1/1).

Project description:In the crystal structure of the title 1:1 adduct, C(12)H(8)N(2)·C(14)H(6)O(7), the carboxyl groups are involved in inter-molecular O-H?O hydrogen bonds, which link the mol-ecules into centrosymmetric dimers. These dimers are further linked by inter-molecular O-H?N hydrogen bonds. C-H?O inter-actions also occur between the 1,10-phenanthroline (phen) and 4,5-dicarb-oxy-naphthalene-1,8-dicarb-oxy-lic anhydride (H(2)NTC) mol-ecules. In addition, the crystal structure exhibits ?-? inter-actions of the phen?phen and H(2)NTC?H(2)NTC types with centroid-centroid distances of 3.579?(3) and 3.774?(3)?Å, respectively.

| S-EPMC3051702 | biostudies-literature

Bis(quinolin-8-ol)silver(I) 2-hydr-oxy-3,5-dinitro-benzoate.

Project description:The title compound, [Ag(C(9)H(7)NO)(2)](C(7)H(3)N(2)O(7)), was prepared from 3,5-dinitro-salicylic acid (DNS), quinolin-8-ol and AgNO(3). The Ag(I) atom is coordinated by two N atoms and two O atoms from two quinolin-8-ols in a roughly planar [maximum deviation = 0.223?(2)?Å] environment. The two quinolin-8-ol ligands are bent slightly with respect to each other, making a dihedral angle of 9.55?(9)°. The DNS anion inter-acts with the silver complex through O-H?O hydrogen bonds.

| S-EPMC2971757 | biostudies-literature

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