Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,3-Diamino-phenazine tetra-hydrate.

ABSTRACT: The title compound, C(12)H(10)N(4)·4H(2)O, was obtained from a room-temperature solution of o-phenyl-enediamine and copper acetate. In the crystal structure, there are significant ?-? stacking inter-actions, with a centroid-centroid separation of 3.575?(2)?Å. In addition, inter-molecular O-H?O, N-H?O, N-H?N and O-H?N hydrogen bonds link 2,3-diamino-phenazine mol-ecules and water mol-ecules, forming a three-dimensional framework.

SUBMITTER: Li XF

PROVIDER: S-EPMC2961609 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,3-Diamino-phenazine tetra-hydrate.

Li Xiao-Feng XF An Yan Y Yin Yan-Sheng YS

Acta crystallographica. Section E, Structure reports online 20080507 Pt 6

The title compound, C(12)H(10)N(4)·4H(2)O, was obtained from a room-temperature solution of o-phenyl-enediamine and copper acetate. In the crystal structure, there are significant π-π stacking inter-actions, with a centroid-centroid separation of 3.575 (2) Å. In addition, inter-molecular O-H⋯O, N-H⋯O, N-H⋯N and O-H⋯N hydrogen bonds link 2,3-diamino-phenazine mol-ecules and water mol-ecules, forming a three-dimensional framework. ...[more]

PMID: 21202528

Similar Datasets

Bis(?-imino-diacetato)bis-[(2,2'-diamino-4,4'-bi-1,3-thia-zole)lead(II)] tetra-hydrate.

Project description:In the crystal structure of the title compound, [Pb(2)(C(4)H(5)NO(4))(2)(C(6)H(6)N(4)S(2))(2)]·4H(2)O, the dinuclear Pb(II) complex mol-ecule is centrosymmetric. The Pb atom is chelated by a tridentate imino-diacetate anion (IDA) and a diamino-bithia-zole (DABT) ligand, while a carboxyl-ate O atom from an adjacent IDA anion further bridges the Pb atom with a longer Pb-O bond [2.892?(3)?Å]. The lone-pair electrons of the Pb atom occupy an axial site in the ?-penta-gonal-bipyramidal coordination polyhedron. The IDA anion displays a facial configuration: its chelating five-membered rings assume an envelope configuration. Within the DABT ligand, the two thia-zole rings are twisted relative to each other, making a dihedral angle of 9.51?(17)°. Extensive N-H?O, O-H?O and weak C-H?O hydrogen bonding helps to stabilize the crystal structure.

| S-EPMC2983700 | biostudies-literature

2,3-Diamino-pyridinium benzoate.

Project description:In the title compound, C(5)H(8)N(3) (+)·C(7)H(5)O(2) (-), the pyridine N atom is protonated. The carboxyl-ate group of the benzoate anion is twisted away from the attached ring by 10.91?(9)°. In the crystal structure, N-H?O hydrogen bonds between 2,3-diamino-pyridinium cations and benzoate anions, and ?-? inter-actions between the pyridinium rings [centroid-centroid distance = 3.6467?(9)?Å] form a two-dimensional network parallel to (001). In the network, N-H?O hydrogen bonds form R(2) (2)(8) and R(2) (1)(7) ring motifs.

| S-EPMC2969407 | biostudies-literature

Tetra-kis(2,6-diamino-pyridinium) diphthalate 2,6-diamino-pyridine.

Project description:In the title compound, 4C(5)H(8)N(3) (+)·2C(8)H(4)O(4) (2-)·C(5)H(7)N(3), the asymmetric unit consists of two protonated diamino-pyridine cations, one phthalate anion and one half of a diamino-pyridine mol-ecule, which has twofold rotation symmetry and is disordered over two positions with a site-occupancy ratio of 0.534?(3):0.466?(3). In the disordered structure, both pyridine rings are essentially planar, with maximum deviations of 0.011?(2) and 0.006?(2)?Å, and these two rings are inclined to one another at a dihedral angle of 79.86?(10)°. In the crystal structure, inter-molecular N-H?O and C-H?O hydrogen bonds link the ions and mol-ecules into a three-dimensional network. The structure is further stabilized by C-H?? inter-actions.

| S-EPMC2971263 | biostudies-literature

1,5-Diamino-tetra-zolium chloride.

Project description:The title compound, CH(5)N(6) (+)·Cl(-), crystallized with two indepedent 1,5-diamino-tetra-zolium cations and two independent chloride anions in the asymmetric unit. In the crystal, there are a number of N-H⋯Cl hydrogen-bonding inter-actions, which generate a three-dimensional network.

| S-EPMC2983990 | biostudies-literature

Bis(2,3-diamino-pyridinium) succinate trihydrate.

Project description:In the title salt, 2C(5)H(8)N(3) (+)·C(4)H(4)O(4) (2-)·3H(2)O, the asymmetric unit contains a protonated 2,3-diamino-pyridinium cation, half of a succinate dianion (disposed about a centre of inversion), and one and a half water mol-ecules. One of the water mol-ecules is disordered over two sites with occupancies of 0.670?(17) and 0.330?(17). The other water mol-ecule has an occupancy of 0.5 (from refinement). The pyridine N atom of the 2,3-diamino-pyridine mol-ecule is protonated. The protonated N atom and one of the 2-amino H atoms are hydrogen bonded to the succinate anion through a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. In the crystal, mol-ecules are consolidated into a three-dimensional network by N-H?O and O-H?O inter-actions.

| S-EPMC2977310 | biostudies-literature

2,3-Diamino-pyridinium 3-amino-benzoate.

Project description:In the title salt, C(5)H(8)N(3) (+)·C(7)H(6)NO(2) (-), the pyridine N atom of the 2,3-diamino-pyridine mol-ecule is protonated. The proton-ated N atom and one of the two N atoms of the 2-amino groups are hydrogen bonded to the 3-amino-benzoate anion through a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. The carboxyl-ate mean plane of the 3-amino-benzoate anion is twisted by 8.81?(7)° from the attached ring. The crystal structure is further stabilized by ?-? inter-actions [centroid-centroid distance 3.6827?(7)?Å].

| S-EPMC2977358 | biostudies-literature

2,3-Diamino-pyridinium 4-nitro-benzoate.

Project description:In the title salt, C(5)H(8)N(3) (+)·C(7)H(4)NO(4) (-), the pyridine N atom of the 2,3-diamino-pyridine mol-ecule is protonated. The protonated N atom and one of the two 2-amino groups are hydrogen bonded to the 4-nitro-benzoate anion through a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. The carboxyl-ate mean plane of the 4-nitro-benzoate anion is twisted by 3.77?(5)° from the attached ring and the nitro group is similarly twisted by 2.28?(10)°. In the crystal, the mol-ecules are linked by N-H?O and C-H?O inter-actions into sheets parallel to (100).

| S-EPMC2969435 | biostudies-literature

Bis(2,3-diamino-pyridinium) phthalate dihydrate.

Project description:The complete anion of the title hydrated mol-ecular salt, 2C(5)H(8)N(3) (+)·C(8)H(4)O(4) (-)·2H(2)O, is generated by a crystallographic twofold axis. In the crystal, the cations, anions and water mol-ecules are connected by N-H?O, O-H?O and C-H?O hydrogen bonds, forming a three-dimensional network. The crystal structure also features C-H?? inter-actions.

| S-EPMC3275077 | biostudies-literature

Bis(2,3-diamino-pyridinium) bis-(μ-pyridine-2,6-dicarboxyl-ato)-κO,N,O:O;κO:O,N,O-bis-[aqua-(pyridine-2,6-dicarboxyl-ato-κO,N,O)bis-muthate(III)] tetra-hydrate.

Project description:In the centrosymmetric dinuclear complex anion of the title compound, (C(5)H(8)N(3))(2)[Bi(2)(C(7)H(3)NO(4))(4)(H(2)O)(2)]·4H(2)O, the Bi(III) atom is eight-coordinated in an N(2)O(6) environment and has a distorted bicapped trigonal-prismatic coordination environment. Extensive inter-molecular O-H⋯O, N-H⋯O and weak C-H⋯O hydrogen bonds lead to the stability of the crystal structure. Inter-actions between one C-H group of the 2,3-diamino-pyridinium [(2,3-dapyH)(+)] cation and the aromatic ring of the pyridine-2,6-dicarboxyl-ate (pydc) ligand (C-H⋯centroid distance = 2.78 Å) and π-π inter-actions between the (2,3-dapyH)(+) cations and between the (2,3-dapyH)(+) cation and the pydc ligand [centroid-centroid distances = 3.489 (5) and 3.694 (5) Å] are observed.

| S-EPMC3052092 | biostudies-literature

Aqua-(2,2'-diamino-4,4'-bi-1,3-thia-zole-?N,N)(pyridine-2,6-dicarboxyl-ato-?O,N,O)zinc tetra-hydrate.

Project description:The title compound, [Zn(C(7)H(3)NO(4))(C(6)H(6)N(4)S(2))(H(2)O)]·4H(2)O, assumes a distorted octa-hedral coordination geometry around the Zn(2+) cation, formed by a diamino-bithia-zole (DABT) mol-ecule, a pyridine-2,6-dicarboxyl-ate anion and a water mol-ecule. The pyridine-2,6-dicarboxyl-ate anion chelates to the Zn(II) atom with a facial configuration. Within the chelating DABT ligand, the two thia-zole rings are twisted by a dihedral angle of 14.52?(8)° with respect to each other. O-H?O and N-H?O hydrogen bonds occur in the crystal structure.

| S-EPMC3120585 | 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