Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-5,5'-(Diazene-1,2-di-yl)diisophthalic acid N,N-dimethyl-formamide disolvate.

ABSTRACT: The title compound, C(16)H(10)N(2)O(8)·2C(3)H(7)NO, was synthesized by the reductive condensation reaction of 5-nitro-isophthalic acid in the presence of NaOH. The tetra-acid mol-ecule, which has a crystallographically imposed centre of symmetry, adopts an E configuration with respect to the azo group. In the crystal packing, mol-ecules are linked through inter-molecular O-H?O and C-H?O hydrogen-bonding inter-actions, forming chains propagating in [20].

SUBMITTER: Zhang L

PROVIDER: S-EPMC2959636 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-5,5'-(Diazene-1,2-di-yl)diisophthalic acid N,N-dimethyl-formamide disolvate.

Zhang Li L Qu Zhi-Rong ZR

Acta crystallographica. Section E, Structure reports online 20081025 Pt 11

The title compound, C(16)H(10)N(2)O(8)·2C(3)H(7)NO, was synthesized by the reductive condensation reaction of 5-nitro-isophthalic acid in the presence of NaOH. The tetra-acid mol-ecule, which has a crystallographically imposed centre of symmetry, adopts an E configuration with respect to the azo group. In the crystal packing, mol-ecules are linked through inter-molecular O-H⋯O and C-H⋯O hydrogen-bonding inter-actions, forming chains propagating in [20]. ...[more]

PMID: 21581060

Similar Datasets

2,2'-(Diselane-1,2-di-yl)dinicotinamide N,N'-dimethyl-formamide disolvate.

Project description:The asymmetric unit of the title compound, C(12)H(10)N(4)O(2)Se(2)·2C(3)H(7)NO, contains two solvent mol-ecules and two half mol-ecules of the dinicotinamide, each of which sits on a center of symmetry passing through the middle of the Se-Se bond. In each mol-ecule, the two pyridyl groups and diseleno group are approximately coplanar (r.m.s. deviations from planarity for all non-H atoms = 0.011 and 0.008?Å in the two mol-ecules). Inter-molecular N-H?O hydrogen bonds stablilize the crystal packing.

| S-EPMC2979017 | biostudies-literature

4,4'-(Anthracene-9,10-di-yl)dibenzoic acid dimethyl-formamide disolvate.

Project description:In the title compound, C(28)H(18)O(4)·2C(3)H(7)NO, the dihedral angle between the benzene rings and the anthracene system is 74.05?(12)°. A crystallographic inversion centre is located in the middle of the anthracene unit. The dimethyl-formamide solvent mol-ecules are partially disordered over two positions of approximately equal occupancy [0.529?(6):0.471?(6)]. Inter-molecular O-H?O hydrogen bonds with the major occupancy formamide O atom as acceptor result in the formation of 2:1 solvate-complex aggregates, which are alternately linked to shorter solvate units via weak inter-molecular C-H?O contacts generated from the rotational disorder of the formamide O atom (minor occupancy component). Weak C-H?? inter-actions between the solvent mol-ecules as the donor and the outer anthracene rings support these contacts in the crystal structure for both disorder components.

| S-EPMC2969536 | biostudies-literature

5,5'-(Ethyne-1,2-di-yl)diisophthalic acid dimethyl sulfoxide tetra-solvate.

Project description:In the title compound, C18H10O8·4C2H6OS, the mid-point of the triple bond of the main mol-ecule is located on a special position, i.e. about an inversion center. The carboxyl groups are twisted slightly out of the planes of the aromatic rings to which they are attached, making dihedral angles of 24.89 (1) and 7.40 (2)°. The cystal packing features strong O-H⋯O hydrogen bonds, weaker C-H⋯O inter-actions and O⋯S contacts [3.0981 (11) Å] and displays channel-like voids extending along the a-axis direction which contain the dimethyl sulfoxide solvent mol-ecules.

| S-EPMC3685062 | biostudies-literature

4,4'-{[1,2-Phenyl-enebis(methyl-ene)]bis-(-oxy)}di-benzoic acid di-methyl-formamide disolvate.

Project description:In the title solvate, C22H18O6·2C3H7NO, the complete dicarboxylic acid molecule is generated by a crystallographic twofold axis, which bisects the central benzene ring and one N,N-di-methyl-formamide solvent mol-ecule. The dihedral angle between the central and pendant benzene rings is 54.53?(5)° while that between the pendant rings is 45.44?(5)°. In the crystal, the acid molecules are linked to the solvent molecules via O-H?O and weak C-H?O hydrogen bonds. Further weak C-H?O inter-actions link adjacent acid mol-ecules into a three-dimensional network.

| S-EPMC4011299 | biostudies-literature

catena-Poly[[[bis-(N,N-dimethyl-formamide)iron(II)]-{μ-2,2'-bis-(diphenyl-phosphino-yl)-N,N'-[(1R,2R)-cyclo-hexane-1,2-di-yl]dibenzamide}] bis-(perchlorate) N,N-dimethyl-formamide disolvate].

Project description:The title extended solid coordination compound, {[Fe(C(44)H(40)N(2)O(4)P(2))(C(3)H(7)NO)(2)](ClO(4))(2)·2C(3)H(7)NO}(n), was crystallized un-ex-pectedly from the reaction mixture containing the Trost ligand (1R,2R)-(+)-1,2-diamino-cyclo-hexane-N,N'-bis-(2'-di-phenyl-phosphinobenzo-yl) and Fe(ClO(4))(2)·6H(2)O in a 1:1 ratio in dimethyl-formamide (DMF) under reflux conditions. The polymeric complex is characterized by Fe(II) metal centers that are coordinated by two oxidized Trost ligands, each coordinated in a bidentate fashion in a square plane, along with two DMF mol-ecules above and below the plane [average Fe-O(DMF) = 2.086 (4) Å], forming an overall pseudo-octa-hedral geometry. The Trost ligand binds adjacent Fe(II) centers, each Fe(II) being bound through the O atom of one of the phosphine oxides [average Fe-O(PPh2) = 2.115 (4) Å] and the carbonyl O atom of the adjacent amide [average Fe-O(amide) = 2.192 (3) Å]. Disorder is observed in the co-solvated solvent: there are two DMF mol-ecules per Fe(II) centre, which were modeled as one DMF mol-ecule with complete occupancy and the other being modeled in two positions with equal occupancy. Disorder was also observed with one of the perchlorate anions, which was modeled in two positions with 0.75:0.25 occupancy.

| S-EPMC2971940 | biostudies-literature

1,4-Bis(benzimidazol-2-yl)benzene dimethyl-formamide disolvate.

Project description:The aromatic mol-ecule of the title compound, C(20)H(14)N(4)·2C(3)H(7)NO, occupies a special position on an inversion center. The benzimidazole unit (planar to within 0.008?Å) forms a dihedral angle of 9.1?(2)° with the central benzene ring. The benzimidazole H atom participates in a hydrogen bond with the dimethyl-formamide solvent molecule, thus giving rise to the title 1:2 aggregate. These aggregates are further linked in the crystal structure by aromatic ?-? stacking inter-actions [centroid-centroid distance = 6.356?(2)?Å].

| S-EPMC2968526 | biostudies-literature

2,2'-(1,3,5,7-Tetra-oxo-1,2,3,5,6,7-hexa-hydro-pyrrolo[3,4-f]isoindole-2,6-di-yl)diacetic acid N,N-dimethyl-formamide disolvate.

Project description:The asymmetric unit of the title compound, C(14)H(8)N(2)O(8)·2C(3)H(7)NO or L·2DMF (DMF = N,N-dimethyl-formamide), contains one half of the centrosymmetric mol-ecule L and one solvent mol-ecule, which is disordered between two orientations in a 0.555?(4):0.445?(4) ratio. Inter-molecular O-H?O hydrogen bonds link one L and two DMF mol-ecules into a centrosymmetric hydrogen-bonded cluster. The crystal packing is further stabilized by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC2970400 | biostudies-literature

2-Amino-terephthalic acid N,N-dimethyl-formamide disolvate.

Project description:The asymmetric unit of the title structure, C(8)H(7)NO(4)·2C(3)H(7)NO, contains one 2-amino-terephthalic acid and two N,N-dimethyl-formamide mol-ecules. Strong O-H⋯O hydrogen bonds between the acidic carb-oxy H atoms of 2-am-ino-terephthalic acid and the O atoms of both solvent mol-ecules form linear 1:2 complex units. One H atom of the amine group is involved in intra-molecular N-H⋯O hydrogen bonding, whereas the second one takes part in an inter-molecular N-H⋯O connection. Furthermore, the crystal is stabilized by weak C-H⋯O hydrogen bonds.

| S-EPMC3414954 | biostudies-literature

(<i>E</i>)-6,6'-(Diazene-1,2-di-yl)bis-(1,10-phenanthrolin-5-ol) tri-chloro-methane disolvate: a superconjugated ligand.

Project description:Phenanthroline ligands are important metal-binding mol-ecules which have been extensively researched for applications in both material science and medicinal chemistry. Azo-benzene and its derivatives have received significant attention because of their ability to be reversibly switched between the E and Z forms and so could have applications in optical memory and logic devices or as mol-ecular machines. Herein we report the formation and crystal structure of a highly unusual novel diazo-diphenanthroline compound, C24H14N6O2·2CHCl3.

| S-EPMC6690457 | biostudies-literature

catena-Poly[[[di-aqua-bis-[1,2-bis-(pyridin-4-yl)diazene]copper(II)]-μ-1,2-bis-(pyridin-4-yl)diazene] bis-(perchlorate)].

Project description:In the title compound, {[Cu(C10H8N4)3(H2O)2](ClO4)2} n , the coordination environment of the cationic Cu(II) atom is distorted octa-hedral, formed by pairs of symmetry-equivalent 1,2-bis-(pyridin-4-yl)diazene ligands, bridging 1,2-bis-(pyridin-4-yl)diazene ligands and two non-equivalent water mol-ecules. The 1,2-bis-(pyridin-4-yl)diazene mol-ecules form polymeric chains parallel to [-101] via azo bonds which are situated about inversion centres. Since the Cu(II) atom is situated on a twofold rotation axis, the monomeric unit has point symmetry 2. The perchlorate anions are disordered in a 0.536 (9):0.464 (9) ratio and are acceptors of water H atoms in medium-strong O-H⋯O hydrogen bonds with graph set R 4 (4)(12). The water mol-ecules, which are coordinated to the Cu(II) atom and are hydrogen-bonded to the perchlorate anions, form columns parallel to [010]. A π-π inter-action [centroid-centroid distance = 3.913 (2) Å] occurs between pyridine rings, and weak C-H⋯O inter-actions also occur.

| S-EPMC3684881 | 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