Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(2-phenyl-biguanidium) adipate tetra-hydrate.

ABSTRACT: In the title salt, 2C(8)H(12)N(5) (+)·C(6)H(8)O(4) (2-)·4H(2)O, the anion is located on a centre of symmetry. The observed supra-molecular network of the crystal structure is produced by ten different hydrogen bonds of the N-H?N, N-H?O and O-H?O types. One additional O-H group is not connected to an acceptor site.

SUBMITTER: Matulkova I

PROVIDER: S-EPMC3050311 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis(2-phenyl-biguanidium) adipate tetra-hydrate.

Matulková Irena I Císařová Ivana I Němec Ivan I

Acta crystallographica. Section E, Structure reports online 20101211 Pt 1

In the title salt, 2C(8)H(12)N(5) (+)·C(6)H(8)O(4) (2-)·4H(2)O, the anion is located on a centre of symmetry. The observed supra-molecular network of the crystal structure is produced by ten different hydrogen bonds of the N-H⋯N, N-H⋯O and O-H⋯O types. One additional O-H group is not connected to an acceptor site. ...[more]

PMID: 21522629

Similar Datasets

Bis(tetra-phenyl-arsonium) di-?-hy-droxido-bis-[(nitrilo-triacetato)-cobalt(III)] octa-hydrate.

Project description:In the title compound, (C(24)H(20)As)(2)[Co(2)(C(6)H(6)NO(6))(2)(OH)(2)]·8H(2)O, the Co(III) atom in the binuclear centrosymmetric anion is octa-hedrally surrounded by one N atom and three O atoms of the tetra-dentate nitrilo-triacetate ligand and two ?-hydroxide ligands. The crystal packing is controlled by C-H?O and O-H?O hydrogen-bonding inter-actions. The crystal employed in this study proved to be a two-component twin around (01).

| S-EPMC3009231 | biostudies-literature

N,N'-Bis(2-hydroxy-ethyl)-N,N'-[ethyl-ene-dioxy-bis(o-phenyl-enemethyl-ene)]-diammonium fumarate tetra-hydrate.

Project description:The reaction of 1,2-bis-{2-[(2-hydroxy-ethyl)amino-methyl]-phen-oxy}ethane and fumaric acid in a mixed solution in ethanol-water (1:1 v/v) yields the title compound, C(20)H(30)N(2)O(4) (2+)·C(4)H(2)O(4) (2-)·4H(2)O. In the crystal structure, the anions, cations and water mol-ecules are connected via O-H?O and N-H?O hydrogen bonds into a three-dimensional network. The fumarate anion and the N,N'-bis-(2-hydroxy-ethyl)-N,N'-[ethyl-enedioxy-bis(o-phenyl-enemethylene)]diammonium cation are located on centers of inversion, whereas the two crystallographically independent water mol-ecules occupy general positions.

| S-EPMC2959538 | biostudies-literature

Tetra-aqua-bis-(3,5-dinitro-benzoato-?O (1))magnesium tetra-hydrate.

Project description:In the structure of the title compound, [Mg(C7H3N2O6)2(H2O)4]·4H2O, the slightly distorted octa-hedral MgO6 coord-in-ation polyhedron comprises two trans-related carboxyl-ate O-atom donors from mononodentate 3,5-dinitro-benzoate ligands, and four water mol-ecules. The coordinating water mol-ecules and the four water mol-ecules of solvation give both intra- and inter-unit O-H?O hydrogen-bonding inter-actions with carboxyl-ate, water and nitro O-atom acceptors, forming a three-dimensional structure.

| S-EPMC3629491 | biostudies-literature

Tetra-aqua-bis(4-formyl-benzoato-?O)cobalt(II) tetra-hydrate.

Project description:The Co(II) atom in the title compound, [Co(C(8)H(5)O(3))(2)(H(2)O)(4)]·4H(2)O, which exists in an all-trans octa-hedral coordination geometry, lies on a center of inversion. The coordinated and uncoordinated water mol-ecules engage in extensive hydrogen-bonding inter-actions, forming a three-dimensional hydrogen-bonded network.

| S-EPMC2960768 | biostudies-literature

trans-Tetra-aqua-bis-(isonicotinamide-?N)cobalt(II) bis-(3-hy-droxy-benzoate) tetra-hydrate.

Project description:The asymmetric unit of the title compound, [Co(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(7)H(5)O(3))(2)·4H(2)O, contains one-half of the complex cation with the Co(II) ion located on an inversion center, a 3-hy-droxy-benzoate counter-anion and two uncoordinated water mol-ecules. Four water O atoms in the equatorial plane around the Co(II) ion [Co-O = 2.0593?(16) and 2.1118?(16)?Å] form a slightly distorted square-planar arrangement, and the distorted octahedral geometry is completed by the two N atoms [Co-N = 2.1306?(18)?Å] from two isonicotinamide ligands. In the anion, the carboxyl-ate group is twisted from the attached benzene ring at 8.84?(17)°. In the crystal, a three-dimensional hydrogen-bonding network, formed by classical O-H?O and N-H?O hydrogen bonds, consolidates the crystal packing, which exhibits ?-? inter-actions between the benzene and pyridine rings, with centroid-centroid distances of 3.458?(1) and 3.606?(1)?Å, respectively.

| S-EPMC3297218 | biostudies-literature

trans-Tetra-aqua-bis-(isonicotinamide-?N (1))zinc bis-(3-hy-droxy-benzoate) tetra-hydrate.

Project description:The asymmetric unit of the title compound, [Zn(C6H6N2O)2(H2O)4](C7H5O3)2·4H2O, contains half of the complex cation with the Zn(II) ion located on an inversion center, a 3-hy-droxy-benzoate counter-anion and two uncoordinating water mol-ecules. Four water O atoms in the equatorial plane around the Zn(II) ion [Zn-O = 2.089?(2) and 2.128?(2)?Å] form a slightly distorted square-planar arrangement and the distorted octa-hedral geometry is completed by the two N atoms [Zn-N = 2.117?(2)?Å] from two isonicotinamide ligands. In the anion, the carboxyl-ate group is twisted from the attached benzene ring at 9.0?(2)°. In the crystal, a three-dimensional hydrogen-bonding network, formed by classical O-H?O and N-H?O and weak C-H?O hydrogen bonds, consolidates the crystal packing, which exhibits ?-? stacking between the benzene and pyridine rings, with centroid-centroid distances of 3.458?(2) and 3.609?(2)?Å. One of the two H atoms of each uncoordinating water mol-ecule is disordered over two orientations with an occupancy ratio of 0.60:0.40.

| S-EPMC3629480 | biostudies-literature

trans-Tetra-aqua-bis-(isonicotinamide-κN)nickel(II) bis-(3-hy-droxy-benzoate) tetra-hydrate.

Project description:The asymmetric unit of the title compound, [Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(7)H(5)O(3))(2)·4H(2)O, contains one-half of the complex cation with the Ni(II) ion located on an inversion center, a 3-hy-droxy-benzoate counter-anion and two uncoordinated water mol-ecules. Four water O atoms in the equatorial plane around the Ni(II) ion [Ni-O = 2.052 (2) and 2.079 (2) Å] form a slightly distorted square-planar arrangement, which is completed up to a distorted octa-hedron by the two N atoms [Ni-N = 2.075 (3) Å] from two isonicotinamide ligands. In the anion, the carboxyl-ate group is twisted from the attached benzene ring by 8.8 (3)°. In the crystal, a three-dimensional hydrogen-bonding network, formed by classical O-H⋯O and N-H⋯O hydrogen bonds, consolidates the crystal packing, which also exhibits π-π inter-actions between the benzene and pyridine rings, with centroid-centroid distances of 3.455 (2) and 3.621 (2) Å, respectively.

| S-EPMC3274920 | biostudies-literature

Tetra-aqua-bis-[5-(3-pyrid-yl)tetra-zolido-?N]zinc(II) tetra-hydrate.

Project description:The title compound, [Zn(C(6)H(4)N(5))(2)(H(2)O)(4)]·4H(2)O, was synthesized by the hydro-thermal reaction of Zn(CH(3)COO)(2)·2H(2)O with 3-(2H-tetra-zol-5-yl)pyridine. The Zn(II) ion is located on an inversion center and is coordinated by two pyridine N atoms from two 5-(3-pyrid-yl)tetra-zolide ligands and four coordinated water mol-ecules in a slightly distorted octa-hedral geometry. The dihedral angle between the pyridine and tetra-zole rings is 9.920?(7)°. In the crystal, mol-ecules are linked into a three-dimensional network by inter-molecular O-H?O and O-H?N hydrogen bonds involving the tetra-zole group N atoms, the aqua ligands and solvent water mol-ecules.

| S-EPMC3011773 | biostudies-literature

Tetra-aqua-bis-[5-(pyridin-3-yl)tetra-zolido-?N?]manganese(II) tetra-hydrate.

Project description:The title compound, [Mn(C?H?N?)?(H?O)?]·4H?O, was obtained by the solution reaction of MnCl? and 3-(2H-tetra-zol-5-yl)pyridine. The Mn(II) atom, located on an inversion center, shows a slightly distorted octa-hedral geometry and is coordinated by two pyridine N atoms from two 5-(pyridin-3-yl)tetra-zolide ligands occupying trans positions and four water mol-ecules. In the crystal, the mononuclear complex mol-ecules and solvent water mol-ecules are connected into a three-dimensional framework by O-H?N and O-H?O hydrogen bonds.

| S-EPMC3393165 | biostudies-literature

Bis(tetra-phenyl-phospho-nium) tetra-sulfido-tungstate(VI).

Project description:The crystal structure of the title compound, (C(24)H(20)P)(2)[WS(4)], which was prepared under hydro-thermal conditions, contains tetra-phenyl-phospho-nium cations linked by supra-molecular inter-actions into chains running along the [110] and [10] directions. The [WS(4)](2-)anions, which lie on twofold axes, are located in the cavities created between the cation chains.

| S-EPMC2960978 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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