Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N,N'-(Ethane-1,2-diyldi-o-phenyl-ene)bis-(pyridine-2-carboxamide).

ABSTRACT: The title mol-ecule, C(26)H(22)N(4)O(2), is centrosymmetric and adopts an anti conformation. Two intra-molecular hydrogen bonds, viz. amide-pyridine N-H?N and phen-yl-amide C-H?O, stabilize the trans conformation of the (pyridine-2-carboxamido)-phenyl group about the amide plane. In the crystal, the presence of weak inter-molecular C-H?O hydrogen bonds results in the formation of a three-dimensional network.

SUBMITTER: Sarkar S

PROVIDER: S-EPMC3247390 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N,N'-(Ethane-1,2-diyldi-o-phenyl-ene)bis-(pyridine-2-carboxamide).

Sarkar Shuranjan S Lee Hong-In HI

Acta crystallographica. Section E, Structure reports online 20111022 Pt 11

The title mol-ecule, C(26)H(22)N(4)O(2), is centrosymmetric and adopts an anti conformation. Two intra-molecular hydrogen bonds, viz. amide-pyridine N-H⋯N and phen-yl-amide C-H⋯O, stabilize the trans conformation of the (pyridine-2-carboxamido)-phenyl group about the amide plane. In the crystal, the presence of weak inter-molecular C-H⋯O hydrogen bonds results in the formation of a three-dimensional network. ...[more]

PMID: 22220008

Similar Datasets

N,N'-(4,5-Dimethyl-1,2-phenyl-ene)bis-(pyridine-2-carboxamide).

Project description:In the title compound, C(20)H(18)N(4)O(2), the dihedral angles between the central benzene ring and the pyridine rings are 57.55 (6) and 22.05 (8)°. The mol-ecular conformation is stabilized by intra-molecular N-H⋯N inter-actions and in the crystal structure an inter-molecular asymmetric cyclic hydrogen-bonding association involving both amide N-H donors and a common amide O-atom acceptor gives a chain extending along the c axis.

| S-EPMC3435751 | biostudies-literature

1,2-Bis(phenyl-phosphor-yl)ethane.

Project description:The geometric parameters of the mol-ecule of the title compound, C(14)H(16)O(2)P(2), are in the usual ranges. It is a meso compound with the two chiral P atoms having opposite configurations. The P-CH(2)-CH(2)-P chain adopts a trans conformation [torsion angle -178.59 (17)°]. The P=O bonds are almost coplanar with the adjacent phenyl ring [torsion angles = 3.8 (3) and 0.3 (3)°]. Whereas one of them is synclinal [torsion angle = -59.0 (2)°] to the central C-C bond, the other is anti-clinal [torsion angle = 56.6 (2)°] to the central C-C bond. The dihedral angle between the two phenyl rings is 5.2 (3)°. The mol-ecules are linked by weak C-H⋯O hydrogen bonds. They crystallize in rows running along the c axis.

| S-EPMC2915368 | biostudies-literature

{N,N'-[2,2'-(Ethane-1,2-diyldisulfanediyl)di-o-phenyl-ene]bis-(quinoline-2-carboxamidato)}copper(II).

Project description:In the title compound, [Cu(C(34)H(24)N(4)O(2)S(2))] or [Cu(bqdapte)], where H(2)bqdapte is 1,2-{bis-[2-(quinoline-2-carboxamido)-phen-yl]sulfan-yl}ethane, the Cu(II) ion is coordinated to the dianionic hexa-dentate bqdapte(2-) ligand by two amide and two quinoline N atoms and two thio-ether S atoms. In the observed conformation of the hexa-dentate ligand, the quinoline rings attain positions related by a twofold axis. The Cu atom displays a Jahn-Teller-distorted octa-hedral CuN(4)S(2) geometry axially compressed along the two trans-configured Cu-N(amidate) bonds.

| S-EPMC3120416 | biostudies-literature

Diethyl 4,4'-(ethane-1,2-diyldi-oxy)dibenzoate.

Project description:The title compound, C(20)H(22)O(6), was obtained by the reaction of ethyl 4-hy-droxy-benzoate with 1,2-dichloro-ethane in dimethyl-formamide. The mol-ecule lies around the crystallographic inversion center at (0,0,0), with the asymmetric unit consisting of one half of the mol-ecule. The two ethyl groups are in trans positions. The ethyl, carboxyl, aryl and O-CH(2) groups are coplanar with an r.m.s. deviation of 0.0208 (9) Å. The whole mol-ecule is planar with an r.m.s. deviation of 0.0238 (9) Å for the 19 atoms used in the calculation and 0.0071 (9) Å for the two aryl groups in the mol-ecule. A weak inter-molecular C-H⋯O hydrogen bond and a C-H⋯π inter-action help to consolidate the three-dimensional network.

| S-EPMC3151924 | biostudies-literature

Ethane-1,2-diyl bis-(pyridine-3-car-box-ylate).

Project description:The title compound, C(14)H(12)N(2)O(4), has twofold imposed crystallographic symmetry in the solid state. The asymmetric unit contains one half-mol-ecule. An intra-molecular C-H?O hydrogen bond is formed between the carboxyl-ate O group and one H atom of the aromatic ring such that a five-membered ring is formed. The angle between the planes of symmetry-related aromatic rings is 44.71?(19)°.

| S-EPMC2980043 | biostudies-literature

[μ-N,N'-Bis(2-pyridylmethyl-ene)ethane-1,2-diamine]bis-{aqua-[N,N'-bis-(2-pyridyl-methyl-ene)ethane-1,2-diamine]manganese(II)} tetra-kis(perchlorate).

Project description:The cation of the salt, [Mn(2)(C(14)H(14)N(4))(3)(H(2)O)(2)](ClO(4))(4), lies on a center of inversion, the center lying midway along the ethyl-ene chain of the bridging N,N'-bis-(2-pyridylmethyl-ene)ethane-1,2-diamine ligand. The Mn atom is chelated by two atoms N atoms of this bridging ligand, and is also coordinated by four N atoms of another ligand. The Mn atom is seven-coordinated in a penta-gonal-bipyramidal environment. The crystal structure displays inter-molecular π-π inter-actions between adjacent pyridine rings, with a shortest centroid-centroid distance of 3.784 (3) Å. The perchlorate is linked to the dinuclear cation by O-H⋯O hydrogen bonds.

| S-EPMC2983616 | biostudies-literature

2,2'-[Ethane-1,2-diylbis(sulfanedi-yl)]bis-(pyridine N-oxide).

Project description:The tile compound, C(12)H(12)N(2)O(2)S(2), lies on an inversion center. The two pyridyl rings are parallel to each other. The structure is devoid of any classical hydrogen bonds due to lack of appropriate donors and acceptors for such bonds. However, non-classical hydrogen bonds of the types C-H?O and C-H?S stabilize the structure.

| S-EPMC2972030 | biostudies-literature

N,N'-(2,2'-Dithiodi-o-phenyl-ene)bis-(furan-2-carboxamide).

Project description:The reaction of 2,2'-dithio-bis(benzenamine) with furan-2-carbonyl chloride produced the bis-amide title compound, C(22)H(16)N(2)O(4)S(2), which, in the crystal, formed a helix; the structure consists of two planar furanoylbenzenamines related by an improper rotation of 96.3° about the S-S bond. The N-furanoylbenzenamine units are planar (maximum deviations = 0.316 and 0.132 Å). Each electron-deficient acyl-furan stacks (centroid-centroid separations of the two pairs of π-π stacked aromatic rings are 3.918 and 3.953 Å) with the electron-rich benzenamine of the other N-furan-oyl-benzenamine unit, leading to a spiral structure. The conformation is stabilized by two bifurcated intramolecular N-H⋯(O,S) interactions.

| S-EPMC2967937 | biostudies-literature

Diethyl 2,2'-(ethane-1,2-diyldi-oxy)di-benzo-ate.

Project description:The mol-ecular title compound, C20H22O6, was obtained by the reaction of ethyl 2-hy-droxy-benzoate with 1,2-di-chloro-ethane. The mol-ecule lies on a twofold rotation axis which passes through the middle of the central ethyl-ene bridge. This group exhibits a gauche conformation with the corresponding O-C-C-O torsion angle being 73.2?(2)°. The C atoms of the carboxyl group, the aryl and the O-CH2 group are coplanar, with an r.m.s. deviation of 0.01?Å. The two aryl rings form a dihedral angle of 67.94?(4)°. The ester ethyl group is disordered over two sets of sites with an occupancy ratio of 0.59?(2):0.41?(2). The crystal packing is dominated by van der Waals forces.

| S-EPMC4011244 | biostudies-literature

Poly[[?(10)-4,4'-(ethane-1,2-diyldi-oxy)dibenzoato]dipotassium].

Project description:The title salt, [K(2)(C(16)H(12)O(6))](n), was obtained by the reaction of 1,2-bis-[4-(ethyl-carbox-yl)-phenox-yl]ethane with KOH in water. The anion lies on a crystallographic inversion center, which is located at the mid-point of the central C-C bond. The K(+) cation is coordinated by six O atoms, two from the chelating carboxyl-ate group of the anion and four from four neighboring and monodentately binding anions, giving rise to an irregular [KO(6)] coordination polyhedron. The coordination mode of the cation leads to the formation of K/O layers parallel to (100). These layers are linked by the nearly coplanar anions (r.m.s. deviation of 0.064?Å of the carboxyl, aryl and O-CH(2) groups from the least-squares plane) into a three-dimentional network.

| S-EPMC3343791 | 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