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Butane-1,2,3,4-tetra-carboxylic acid dihydrate.

ABSTRACT: The asymmetric unit of the title compound, C(8)H(10)O(8)·2H(2)O, contains one half-mol-ecule of butane-1,2,3,4-tetra-carboxylic acid and a water mol-ecule, with the complete tetra-acid generated by crystallographic inversion symmetry. Inter-molecular O-H⋯O hydrogen bonds form an extensive three-dimensional network, which consolidates the crystal packing.

SUBMITTER: Cheng Y

PROVIDER: S-EPMC2968855 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature

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Butane-1,2,3,4-tetra-carboxylic acid dihydrate.

Cheng Yu Y Wu Jiang J Zhu Hong-Lin HL Lin Jian-Li JL

Acta crystallographica. Section E, Structure reports online 20090325 Pt 4

The asymmetric unit of the title compound, C(8)H(10)O(8)·2H(2)O, contains one half-mol-ecule of butane-1,2,3,4-tetra-carboxylic acid and a water mol-ecule, with the complete tetra-acid generated by crystallographic inversion symmetry. Inter-molecular O-H⋯O hydrogen bonds form an extensive three-dimensional network, which consolidates the crystal packing. ...[more]

PMID: 21582554

Similar Datasets

4,4'-Bipyridine-butane-1,2,3,4-tetra-carboxylic acid (1/1).

Project description:The title compound, C(10)H(8)N(2)·C(8)H(10)O(8), is an example of a system with a short O⋯H⋯N hydrogen bond [O⋯N = 2.565 (3) Å]. The crystal structure comprises a 1:1 adduct between 4,4'-bipyridine and butane-1,2,3,4-tetra-carboxylic acid, where both components are centrosymmetric. The component mol-ecules are linked through strong O⋯H⋯N hydrogen bonds, forming chains extending approximately along [11]. The chains are inter-connected by O⋯H⋯O hydrogen bonds and weak stacking inter-actions involving the pyridyl rings of the 4,4'-bipyridine mol-ecules [centroid-centroid distance = 3.73 (2) Å and inter-planar distance = 3.35 (1) Å]. The H atom of the short O⋯H⋯N hydrogen bond is disordered over two positions with site occupancy factors of ca 0.6 and 0.4. One methylene group is disordered over two positions; the site occupancy factors are ca 0.9 and 0.1.

| S-EPMC2961488 | biostudies-literature

Butane-1,2,3,4-tetra-carboxylic acid-4,4'-bipyridine (1/2).

Project description:The hydro-thermal reaction of butane-1,2,3,4-tetra-carboxylic acid (H(4)butca), 4,4'-bipyridine (bipy) and Mn(SO(4))(2)·H(2)O afforded a new co-crystal, C(8)H(10)O(8)·2C(10)H(8)N(2) or H(4)butca·2(bipy), in which strong O-H?N hydrogen-bonding and weak ?-? stacking [centroid-centroid distance = 3.8459?(19)?Å] inter-actions assemble the organic mol-ecules into a three-dimensional supra-molecular framework. C-H?O inter-actions are also present. The whole mol-ecule has inversion symmetry.

| S-EPMC2977318 | biostudies-other

Biphenyl-3,3',4,4'-tetra-carboxylic acid dihydrate.

Project description:The asymmetric unit of the title compound, C(16)H(10)O(8)·2H(2)O, contains one-half of the centrosymmetric organic mol-ecule and one water mol-ecule. The dihedral angles between the carboxyl-ate groups and the adjacent phenyl ring are 71.31?(3) and 16.67?(3)°, while the carboxyl-ate groups are oriented at a dihedral angle of 72.01?(3)°. In the crystal structure, inter-molecular O-H?O and bifurcated O-H?(O,O) hydrogen bonds link the mol-ecules to form a three-dimensional supra-molecular network.

| S-EPMC2968332 | biostudies-literature

Poly[tetra-aqua-(?(8)-butane-1,2,3,4-tetra-carboxyl-ato)distrontium].

Project description:In the title compound, [Sr(2)(C(8)H(6)O(8))(H(2)O)(4))](n), the Sr(II) ion is coordinated by six O atoms of four symmetry-related ligands and two water mol-ecules in a distorted bicapped trigonal-prismatic environment. The butane-1,2,3,4-tetra-carboxyl-ate ligands lie on inversion centers and bridge Sr(II) ions, forming a three-dimensional network. Within the three-dimensional structure, there are O-H?O hydrogen bonds involving the water mol-ecules and carboxyl-ate O atoms.

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Butane-1,2,3,4-tetra-carb-oxy-lic acid-1,10-phenanthroline-water (1/2/2).

Project description:The asymmetric unit of the title compound, 2C(12)H(8)N(2)·C(8)H(10)O(8)·2H(2)O, contains one 1,10-phenanthroline mol-ecule, one half-mol-ecule of butane-1,2,3,4-tetra-carb-oxy-lic acid (H(4)BTC) and a water mol-ecule, with the complete tetra-acid generated by crystallographic inversion symmetry. Inter-molecular O-H?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distances = 3.672?(2) and 3.708?(2)?Å form an extensive three-dimensional network, which consolidates the crystal packing.

| S-EPMC3151845 | biostudies-literature

1,3,7-Trimethyl-2,4-dioxo-1,2,3,4-tetra-hydro-pteridine-6-carboxylic acid hemihydrate.

Project description:In the title compound, C(10)H(10)N(4)O(4)·0.5H(2)O, the two rings of the pteridine system are nearly coplanar [dihedral angle = 4.25?(9)°]. The atoms of the carboxyl group are also coplanar with the pteridine unit [r.m.s. deviation from the mean plane of the pteridine skeleton = 0.092?(2)?Å]. In the crystal, the presence of the water molecule of crystallization (O atom site symmetry 2) leads to a hydrogen-bonding pattern different from the one shown by many carboxylic acid compounds (dimers formed through O-H?O hydrogen bonds between neighbouring carboxyl groups): in the present structure, the water mol-ecule, which lies on a binary axis, acts as a bridge between two mol-ecules, forming a hydrogen-bonded dimer. In addition to the hydrogen bonds, there are ?-? ring stacking inter-actions involving the pyrimidine and pyrazine rings [centroid-centroid distance = 3.689?(1)Å], and two different pyrazine rings [centroid-centroid distance = 3.470?(1)Å]. Finally, there is a C-O?? contact involving a carboxyl-ate C-O and the pyrimidine ring with a short O?Cg distance of 2.738?(2)?Å.

| S-EPMC2983745 | biostudies-literature

Poly[diammonium [(?(4)-butane-1,2,3,4-tetra-carboxyl-ato)zincate] tetra-hydrate].

Project description:In the title compound, {(NH(4))(2)[Zn(C(8)H(6)O(8))]·4H(2)O}(n), the asymmetric unit contains one ammonium cation, half of a butane-1,2,3,4-tetra-carboxyl-ate anion, one Zn(2+) cation and two water mol-ecules. The butane-1,2,3,4-tetra-carboxyl-ate ligand is located about an inversion centre at the mid-point of the central C-C bond. The Zn(2+) cation is situated on a twofold rotation axis and is surrounded by four O atoms from four symmetry-related butane-1,2,3,4-tetra-carboxyl-ate anions in a distorted tetra-hedral environment. In turn, each anion coordinates to four Zn(2+) cations. The bridging mode of the anions leads to a three-dimensional framework structure with channels extending along [110] and [010] in which the ammonium cations and the water mol-ecules are located. N-H?O and O-H?O hydrogen bonding between the cations and water mol-ecules and the uncoordinating O atoms of the carboxyl-ate groups consolidates the crystal packing.

| S-EPMC3470150 | biostudies-literature

5,5'-(Butane-1,4-di-yl)bis-(1H-tetra-zole) dihydrate.

Project description:The title compound, C(6)H(10)N(8)·2H(2)O, was prepared by the reaction of hexanedinitrile and sodium azide. The di-1H-tetra-zole mol-ecule lies on a crystallographic centre of inversion and is linked to the water mol-ecules by N-H?O and O-H?N hydrogen bonds, forming a two-dimensional supra-molecular structure in the crystal.

| S-EPMC3011479 | biostudies-literature

7-Hy-droxy-1,2,3,4-tetra-hydro-quinolin-2-one dihydrate.

Project description:The asymmetric unit of the title compound, C(9)H(9)NO(2)·2H(2)O, comprises two independent organic mol-ecules and four water mol-ecules of crystallization. The heterocyclic rings are not planar: in one mol-ecule, the C atom bearing the O atom and the adjacent methyl-ene C atom are displaced by 0.320 (3) and 0.677 (3) Å, respectively, from the other eight atoms of the fused ring system. Equivalent values of 0.243 (3) and 0.659 (3) Å apply to the second mol-ecule. In the crystal, the components are linked by N-H⋯O and O-H⋯O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3393305 | biostudies-literature

Poly[triaqua-(?-butane-1,2,3,4-tetra-carboxyl-ato)dicadmium(II)].

Project description:The asymmetric unit of the title Cd(II) coordination polymer, [Cd(2)(C(8)H(6)O(8))(H(2)O)(3)](n), contains two crystallographically independent Cd(II) cations, one-half each of two independent anionic butane-1,2,3,4-tetra-carboxyl-ate units (L) and three water mol-ecules. Both anionic units lie on inversion centers. One of the Cd(II) ions is six-coordinated by four carboxyl-ate O atoms from four L anions and two water O atoms in a distorted octa-hedral coordination environment. The other Cd(II) ion is eight-coordinated by seven carboxyl-ate O atoms from four L anions and one water O atom. The anionic units bridge neighboring Cd(II) centers, forming a three-dimensional framework. O-H?O hydrogen-bonding inter-actions between the water mol-ecules and carboxyl-ate O atoms further stabilize the structure.

| S-EPMC2971854 | biostudies-other

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