Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3,3'-Diazenediyldiphthalic acid dihydrate.

ABSTRACT: In the crystal structure of the title compound, C(16)H(10)N(2)O(8)·2H(2)O, the organic mol-ecule is located on a centre of symmetry. The two benzene rings are parallel, but not coplanar, as indicated by N=N-C-C torsion angles involving the azo group of 12.1?(5) and -168.2?(3)°. The organic mol-ecule and the water mol-ecule are linked by O-H?O hydrogen bonds, forming a three-dimensional network.

SUBMITTER: Yang B

PROVIDER: S-EPMC2915230 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3,3'-Diazenediyldiphthalic acid dihydrate.

Yang Bin B Wang Jun J Hou Yang Y Zhao Bao-Zhong BZ Fu Qiang Q

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

In the crystal structure of the title compound, C(16)H(10)N(2)O(8)·2H(2)O, the organic mol-ecule is located on a centre of symmetry. The two benzene rings are parallel, but not coplanar, as indicated by N=N-C-C torsion angles involving the azo group of 12.1 (5) and -168.2 (3)°. The organic mol-ecule and the water mol-ecule are linked by O-H⋯O hydrogen bonds, forming a three-dimensional network. ...[more]

PMID: 21200728

Similar Datasets

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

1-Carboxymethyl-1'-carboxylatomethyl-3,3'-[p-phenylenebis(oxymethylene)]dipyridinium bromide dihydrate.

Project description:In the crystal structure of the title salt, C(22)H(21)N(2)O(6) (+)·Br(-)·2H(2)O, pairs of betaine mol-ecules are bridged by protons (the bridging proton is disordered), forming strong and symmetrical O-H⋯O hydrogen bonds, leading to an infinite chain along the b axis. The water mol-ecules are linked to the betaine mol-ecule and the bromide ion through O-H⋯O and O-H⋯Br inter-actions. The central ring, located on an inversion centre, makes dihedral angles of 1.2 (2)° with the outer rings. One of the carboxylic acid groups is deprotonated.

| S-EPMC2983144 | biostudies-literature

Crystal structure and Hirshfeld surface analysis of 4,4'-di-meth-oxy-biphenyl-3,3',5,5'-tetra-carb-oxy-lic acid dihydrate.

Project description:In the crystal of the title compound, C18H14O10·2H2O, the arene rings of the biphenyl moiety are tilted at an angle of 24.3 (1)°, while the planes passing through the carboxyl groups are rotated at angles of 8.6 (1) and 7.7 (1)° out of the plane of the benzene ring to which they are attached. The crystal structure is essentially stabilized by O-H⋯O bonds. Here, the carboxyl groups of neighbouring host mol-ecules are connected by cyclic R 2 2(8) synthons, leading to the formation of a three-dimensional network. The water mol-ecules in turn form helical supra-molecular strands running in the direction of the crystallographic c-axis (chain-like water clusters). The second H atom of each water mol-ecule provides a link to a meth-oxy O atom of the host mol-ecule. A Hirshfeld surface analysis was performed to qu-antify the contributions of the different inter-molecular inter-actions, indicating that the most important contributions to the crystal packing are from H⋯O/O⋯H (37.0%), H⋯H (26.3%), H⋯C/C⋯H (18.5%) and C⋯O/O⋯C (9.5%) inter-actions.

| S-EPMC10993599 | biostudies-literature

1,1'-(Butane-1,4-di-yl)diimidazole-3,3'-diium tetra-chloridozincate(II) dihydrate.

Project description:In the title compound, (C(10)H(16)N(4))[ZnCl(4)]·2H(2)O, the cation lies abouton a center of inversion and the anion about a twofold rotation axis. The Zn(II) atom is four-coordinate in a tetra-hedral environment. The cations, anions and water mol-ecules are linked by N-H⋯O, N-H⋯Cl and O-H⋯Cl hydrogen bonds into a two-dimensional network.

| S-EPMC2961250 | biostudies-literature

3,3'-Bis(3-meth-oxy-benz-yl)-1,1'-(ethane-1,2-diyl)-diimidazolium dibromide dihydrate.

Project description:In the title compound, C(24)H(28)N(4)O(2) (2+)·2Br(-)·2H(2)O, the diimid-azo-lium cation is located on an inversion center. The imidazole and the benzene rings make a dihedral angle of 68.08 (04)°. In the crystal, O-H⋯Br, C-H⋯O and C-H⋯Br hydrogen bonds link the diimidazolium cations, the bromide anions and the water mol-ecules into a two-dimensional network.

| S-EPMC3239092 | biostudies-literature

2,5-Dibromo-terephthalic acid dihydrate.

Project description:The asymmetric unit of the title compound, C(8)H(4)Br(2)O(4)·2H(2)O, contains one half-mol-ecule of 2,5-dibromo-terephthalic acid (DBTA) and one water mol-ecule. The DBTA mol-ecule is centrosymmetric. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules, forming a three-dimensional framework.

| S-EPMC2960662 | biostudies-literature

Genistein-3'-sulfonic acid dihydrate.

Project description:IN THE TITLE COMPOUND [SYSTEMATIC NAME: 5-(5,7-dihydr-oxy-4-oxo-4H-chromen-yl)-2-hydroxy-benzene-sulfonic acid dihydrate], C(15)H(10)O(8)S·2H(2)O, the benzopyran-one ring is not coplanar with the phenyl ring, the dihedral angle between them being 41.35 (3)°. No H atom was placed on the sulphonic acid group because it was not possible to distinguish between the two S=O bonds and the S-O bond. In the crystal, the mol-ecules are linked by classical O-H⋯O and C-H⋯O intra- and inter-molecular hydrogen bonds and aromatic π-π stacking inter-actions [centroid-centroid distance of 3.4523 (14) Å between the 1, 4-pyran-one rings and the benzene rings, and 3.6337 (14) Å between the benzene rings] into a supra-molecular structure.

| S-EPMC2977809 | biostudies-literature

3,3'-(Piperazine-1,4-diium-1,4-di-yl)di-propionate dihydrate.

Project description:During the recrystallization of 3-[4-(2-carb-oxy-eth-yl)piperazin-1-yl]propionic acid, the carb-oxy-lic acid H atoms were transferred to the piperazine N atoms, forming the title compound, C(10)H(18)N(2)O(4)·2H(2)O, in which the zwitterion lies about an inversion center. In the crystal, bifurcated N-H?(O,O) hydrogen bonds connect the zwitterions into a two-dimensional framework parallel to (-102) forming R(4) (4)(30) rings. O-H?O hydrogen bonds involving the solvent water mol-ecules connect the two-dimensional framework into a three-dimensional network. In addition, weak C-H?O hydrogen bonds are observed.

| S-EPMC3470189 | biostudies-other

Biphenyl-3,3'-dicarb-oxy-lic acid.

Project description:The asymmetric unit of the title compound, C(14)H(10)O(4), contains one half mol-ecule, the complete mol-ecule being generated by a twofold axis. The two benzene rings form a dihedral angle of 43.11?(5)°. Inter-molecular O-H?O hydrogen bonds link the mol-ecules into one-dimensional zigzag chains. These chains are further connected into two-dimensional supra-molecular layers by weak ?-? stacking inter-actions between neighbouring benzene rings, with centroid-centroid distances of 3.7648?(8)?Å.

| S-EPMC3089151 | biostudies-literature

2,5-Dihy-droxy-terephthalic acid dihydrate.

Project description:The title compound, C(8)H(6)O(6)·2H(2)O, was obtained by accident within a project on the synthesis of metal-organic coordination polymers by the reaction of LiOH with 2,5-dihy-droxy-terephthalic acid under solvothermal conditions. The asymmetric unit consists of half a 2,5-dihy-droxy-terephthalic acid mol-ecule located on a centre of inversion and one solvent water mol-ecule that occupies a general position. The 2,5-dihy-droxy-terephthalic acid mol-ecules are connected to the water mol-ecules via O-H?O hydrogen bonding to form a layer in the ab plane.

| S-EPMC3007543 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data