Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tetra-kis[?(3)-4-nitro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamidato]tetra-kis-[methano-lsodium(I)].

ABSTRACT: In the title compound, [Na(4)(C(15)H(9)N(4)O(4))(4)(CH(3)OH)(4)], the N(3)O(3) environment around the Na(+) ion is distorted octa-hedral. In the unit cell, four Na(+) ions are bridged by four Schiff base anions, leading to a tetra-nuclear complex with -4 symmetry. O-H?N hydrogen bonds between the methanol mol-ecule and the Schiff base anion stabilize the structural set-up.

SUBMITTER: Yin GJ

PROVIDER: S-EPMC3344320 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Tetra-kis[μ(3)-4-nitro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamidato]tetra-kis-[methano-lsodium(I)].

Yin Guo-Jie GJ Zhang Qing Q Li Dong D

Acta crystallographica. Section E, Structure reports online 20120413 Pt 5

In the title compound, [Na(4)(C(15)H(9)N(4)O(4))(4)(CH(3)OH)(4)], the N(3)O(3) environment around the Na(+) ion is distorted octa-hedral. In the unit cell, four Na(+) ions are bridged by four Schiff base anions, leading to a tetra-nuclear complex with -4 symmetry. O-H⋯N hydrogen bonds between the methanol mol-ecule and the Schiff base anion stabilize the structural set-up. ...[more]

PMID: 22590086

Similar Datasets

2-[3,4-Dibut-oxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thien-yl]-5-phenyl-1,3,4-oxadiazole.

Project description:In the title compound, C(28)H(28)N(4)O(4)S, the dihedral angles between the central thio-phene ring and its pendant oxadiazole rings are 1.2?(3) and 9.8?(3)°. The dihedral angles between the oxadiazole and phenyl rings are 2.9?(3) and 1.8?(3)°. Some short intra-molecular C-H?O contacts occur.

| S-EPMC2962053 | biostudies-literature

Ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-ylsulfan-yl)acetate.

Project description:The title mol-ecule, C(12)H(12)N(2)O(3)S, is composed of two individually planar units, viz. 5-phenyl-1,3,4-oxadiazol-2-yl-sulfanyl and ethyl acetate, which are oriented at almost right angles [80.07?(8)°] with respect to each other. The structure is stabilized by weak inter-molecular C-H?O and C-H?N hydrogen bonds. The phenyl and oxadiazole rings show ?-? stacking inter-actions [centroid-centroid distance = 3.846?(2)?Å] and there is also a short ?-inter-action between the carbonyl O atom and the oxadiazole ring [the distance from this O atom to the centroid of the oxadiazole ring is 3.156?(2)?Å].

| S-EPMC2961061 | biostudies-literature

5-Phenyl-1,3,4-oxadiazol-2-amine.

Project description:In the title complex, C(8)H(7)N(3)O, the C-O [1.369?(2) and 1.364?(3)?Å] and C=N [1.285?(3) and 1.289?(3)?Å] bond lengths in the oxadiazole ring are each almost identical within systematic errors, although different substituents are attached to the ring. The phenyl ring is inclined to the planar oxadiazole ring [r.m.s. deviation 0.002?Å] by 13.42?(18)°. In the crystal, molecules are linked via N-H?N hydrogen bonds, forming double-stranded chains propagating along [010].

| S-EPMC3470405 | biostudies-literature

2-[4-Acetyl-5-(biphenyl-4-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate.

Project description:In the title mol-ecule, C(24)H(20)N(2)O(4), the five-membered oxadiazole ring is nearly planar (r.m.s. deviation = 0.053?Å) and the phenyl ring of the biphenyl unit attached to it forms a dihedral angle of 73.2?(1)°; the other phenyl ring is close to coplanar with the oxadiazole ring [dihedral angle = 6.2?(2)°].

| S-EPMC2984012 | biostudies-literature

1-[2-(4-Chloro-phen-yl)-5-phenyl-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethanone.

Project description:In the title compound, C(16)H(14)ClN(3)O(2), the 2,3-dihydro-1,3,4-oxadiazole ring [maximum deviation = 0.030?(1)?Å] and the pyridine ring [maximum deviation = 0.012?(1)?Å] are inclined slightly to one another, making a dihedral angle of 11.91?(5)°. The chloro-substituted phenyl ring is almost perpendicular to the 2,3-dihydro-1,3,4-oxadiazole and pyridine rings at dihedral angles of 86.86?(5) and 75.26?(5)°, respectively. In the crystal, ?-? [centroid-centroid distance = 3.7311?(6)?Å] and C-H?? inter-actions are observed.

| S-EPMC3379458 | biostudies-literature

Tetra-aqua-bis-(2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfan-yl}acetato)-cobalt(II) monohydrate.

Project description:In the title compound, [Co(C(9)H(6)N(3)O(3)S)(2)(H(2)O)(4)]·H(2)O, the two 2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfan-yl}acetate ligands are monodentate. One coordinates the metal atom via the pyridyl N atom whereas the other coordinates via the carboxyl-ate O atom. The Co(II) atom adopts a slightly distorted octa-hedral coordination geometry with four O atoms of the coordinated water mol-ecules located in the equatorial plane and the N and O atoms of the two POA ligands in axial positions. In the crystal, the components are connected through O-H?O and O-H?N hydrogen bonds into a three-dimensional framework.

| S-EPMC3238654 | biostudies-literature

Tetra-?(3)-methano-lato-tetra-kis-[(2-formyl-6-meth-oxy-phenolato)methano-lnickel(II)].

Project description:The molecule of the title compound, [Ni(4)(CH(3)O)(4)(C(8)H(7)O(3))(4)(CH(3)OH)(4)], has S(4) symmetry. Each of the four Ni(II) atoms occupies every other corner of a cube, with the alternate corners occupied by ?(3)-methano-late bridging groups linking to three Ni(II) atoms. Each Ni(II) atom is in an O(6) octa-hedral coordination environment formed by three O atoms from three ?(3)-methano-late groups, one from methanol, and two others from a bidentate 2-formyl-6-meth-oxy-phenolate ligand. The Ni-O bond distances range from 2.0020?(14) to 2.0938?(14)?Å, the cis bond angles range from 81.74?(6) to 97.63°, and the trans bond angles range from 168.76?(5) to 175.22?(6)°. There are bifurcated hydrogen-bonding inter-actions between the coordinated methanol OH groups and both the phenolic and meth-oxy O atoms of an adjoining 2-formyl-6-meth-oxy-phenolate moiety. In addition, there are weak inter-molecular C-H?O inter-actions involving the meth-oxy O atoms.

| S-EPMC3009121 | biostudies-literature

6,12,18,24-Tetra-meth-oxy-4,10,16,22-tetra-kis-[(meth-oxy-carbon-yl)meth-oxy]-2,8,14,20-tetra-kis-(2-phenyl-eth-yl)resorcin[4]arene.

Project description:The title compound, C(76)H(80)O(16), is a macrocyclic structure. This novel resorcin[4]arene derivative has (meth-oxy-carbon-yl)meth-oxy 'head' groups on the upper rim. The compound has a C(2v) 'boat' geometry and there are a range of C-H?O contacts in the crystal structure.

| S-EPMC3254447 | biostudies-literature

Crystal structure of meso-tetra-kis-(4-nitro-phen-yl)porphyrin nitro-benzene disolvate.

Project description:The porphyrin core of the title centrosymmetric compound, C44H26N8O8·2C6H5NO2, is approximately planar, the maximum deviation being 0.069?(3)?Å. The planes of the benzene rings of the nitro-phenyl substituents are almost perpendicular to the porphyrin mean plane, making dihedral angles of 73.89?(9) and 89.24?(9)°. The two pyrrole ring H atoms are equally disordered over the four pyrrole ring N atoms. In the crystal, weak C-H?O and C-H?N hydrogen bonds link the porphyrin mol-ecules into a three-dimensional supra-molecular network. The nitro-benzene solvent mol-ecules are linked by weak C-H?O hydrogen bonds into supra-molecular chains propagating along the a-axis direction.

| S-EPMC4257332 | biostudies-literature

N-(4-Chloro-phen-yl)-1-(5-{[(2-phenyl-ethen-yl)sulfon-yl]meth-yl}-1,3,4-oxadiazol-2-yl)methane-sulfonamide.

Project description:In the title compound, C(18)H(16)ClN(3)O(5)S(2), the dihedral angles between the oxadiazole ring and the phenyl and chloro-benzene rings are 23.4?(2) and 45.4?(2)°, respectively. The C-S-N-C and C(ox)-C-S-C (ox = oxadiazole) torsion angles are 89.3?(5) and -69.1?(3)°, respectively. A short intra-molecular C-H?O contact closes an S(6) ring. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, generating C(10) chains propagating in [001]. The packing is consolidated by C-H?O, C-H?? and very weak aromatic ?-? stacking inter-actions [centroid-centroid separation = 4.085?(2)?Å].

| S-EPMC3470325 | 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