Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,2'-(Quinoxaline-2,3-di-yl)diphenol dimethyl-formamide solvate.

ABSTRACT: In the title compound, C(20)H(14)N(2)O(2)·C(3)H(7)NO, the quinoxaline ring forms dihedral angles of 64.9 (2) and 30.9 (2)° with the two substituted benzene rings, which are themselves inclined at 58.4 (2)°. An intra-molecular O-H⋯N hydrogen bond occurs. In the crystal, mol-ecules are linked through inter-molecular O-H⋯O hydrogen bonds.

SUBMITTER: You ZL

PROVIDER: S-EPMC2979914 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Dibromido[1,1'-dibenzyl-2,2'-(sulfane-diyl-dimethyl-ene)di-1H-benzimidazole]-cadmium(II) dimethyl-formamide solvate.

Project description:In the title compound, [CdBr(2)(C(30)H(26)N(4)S)]·C(3)H(7)NO, both the complex and solvent mol-ecule lie on a crystallographic mirror plane. The Cd(II) ion is coordinated in a disorted square-pyramidal CdBr(2)N(2)S environment with one of the Br atoms in the apical site. In the crystal structure, the benzimidazole ring systems are involved in weak inter-molecular ?-? stacking inter-actions [centroid-centroid distances = 3.606?(2) and 3.753?(2)?Å]. Further stabilization is provided by weak inter-molecular C-H?O hydrogen bonds. The methyl H atoms of the dimethyl-formamide solvent mol-ecule are disordered about a mirror plane.

| S-EPMC3007206 | biostudies-literature

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'-(Cyclo-hexane-1,1-di-yl)diphenol methanol solvate.

Project description:The title compound, crystallized as a methanol solvate, C(18)H(20)O(2)·CH(3)OH, is an inter-mediate in the synthesis of the anti-lipidemic agent clinofibrate. Mol-ecules are packed together with the methanol solvent molecule via two O-H?O hydrogen bonds. The third O-H?O hydrogen bond is between neighboring 4,4'-(cyclo-hexane-1,1-di-yl)diphenol mol-ecules. The dihedral angle between two benzene rings planes is 81.69?(6).

| S-EPMC2968192 | biostudies-literature

4,4'-Dimethyl-2,2'-{[2,3,3a,4,5,6,7,7a-octa-hydro-1H-benzimidazole-1,3-di-yl]bis-(methyl-ene)}diphenol.

Project description:The asymmetric unit of the title compound, C23H30N2O2, contains one half-mol-ecule, with a twofold axis splitting the mol-ecule in two identical halves. The structure of the racemic mixture has been reported previously [Rivera et al. (2009 ▶) J. Chem. Crystallogr. 39, 827-830] but the enanti-omer reported here crystallized in the ortho-rhom-bic space group P21212 (Z = 2), whereas the racemate occurs in the triclinic space group P-1 (Z = 2). The observed mol-ecular conformation is stabilized by two intra-molecular O-H⋯N hydrogen bonds, which generate rings with graph-set motif S(6). In the crystal, mol-ecules are linked via non-classical C-H⋯O inter-actions, which stack the mol-ecules along the b axis.

| S-EPMC3772489 | biostudies-literature

2,2'-(Biphenyl-4,4'-diyldi-oxy)diacetic acid N,N-dimethyl-formamide solvate.

Project description:In the crystal struture of the title compound, C(16)H(14)O(6)·C(3)H(7)NO, the two crystallographically independent benzene rings are coplanar [dihedral angle = 1.00?(2)°]. The crystal structure is stabilized by O-H?O hydrogen bonds between the diacid and the solvate dimethylformamide mol-ecule, resulting in the formation of a zigzag chain structure extending parallel to [001].

| S-EPMC2977266 | biostudies-literature

Di-?-chlorido-bis-[(2,2'-bipyridine-5,5'-dicarb-oxy-lic acid-?(2)N,N')chloridocopper(II)] dimethyl-formamide tetra-solvate.

Project description:In the title compound, [Cu(2)Cl(4)(C(12)H(8)N(2)O(4))(2)]·4C(3)H(7)NO, which contains a chloride-bridged centrosymmetric Cu(II) dimer, the Cu(II) atom is in a distorted square-pyramidal 4 + 1 coordination geometry defined by the N atoms of the chelating 2,2'-bipyridine ligand, a terminal chloride and two bridging chloride ligands. Of the two independent dimethyl-formamide mol-ecules, one is hydrogen bonded to a single -COOH group, while one links two adjacent -COOH groups via a strong accepted O-H?O and a weak donated C(O)-H?O hydrogen bond. Two of these last mol-ecules and the two -COOH groups form a centrosymmetric hydrogen-bonded ring in which the CH=O and the -COOH groups by disorder adopt two alternate orientations in a 0.44:0.56 ratio. These hydrogen bonds link the Cu(II) complex mol-ecules and the dimethyl-formamide solvent mol-ecules into infinite chains along [-111]. Slipped ?-? stacking inter-actions between two centrosymmetric pyridine rings (centroid-centroid distance = 3.63?Å) contribute to the coherence of the structure along [0-11].

| S-EPMC3569178 | biostudies-literature

2,2'-Dimethoxy-4,4'-[rel-(2R,3S)-2,3-di-methylbutane-1,4-diyl]diphenol.

Project description:The title mol-ecule, C(20)H(26)O(4), commonly known as meso-dihydro-guaiaretic acid, is a naturally occurring lignan extracted from Larrea tridentata and other plants. The mol-ecule has a noncrystallographic inversion center situated at the midpoint of the central C-C bond, generating the meso stereoisomer. The central C-C-C-C alkyl chain displays an all-trans conformation, allowing an almost parallel arrangement of the benzene rings, which make a dihedral angle of 5.0?(3)°. Both hydr-oxy groups form weak O-H?O-H chains of hydrogen bonds along [100]. The resulting supra-molecular structure is an undulating plane parallel to (010).

| S-EPMC2969660 | biostudies-literature

1-(1H-Benzimidazol-2-yl)-4-nitro-benzene dimethyl-formamide solvate.

Project description:In the title compound, C(13)H(9)N(3)O(2)·C(3)H(7)NO, the benzimidazole ring system and the benzene ring are essentially coplanar, forming a dihedral angle of 0.86?(5)°. The crystal packing is stabilized by an inter-molecular N-H?O hydrogen bond and a ?-? stacking inter-action with a centroid-centroid separation of 3.685?(4)?Å.

| S-EPMC2968547 | biostudies-literature

2,2'-Dimethyl-5,5'-dipropan-2-yl-4,4'-(phenyl-methyl-ene)diphenol.

Project description:In the title mol-ecule, C(27)H(32)O(2), the aromatic rings are in a propeller configuration. In the crystal, mol-ecules are linked through O-H⋯O hydrogen bonds forming a two-dimensional network which develops parallel to (010). Futhermore, weak C-H⋯π inter-actions involving the two substituted rings build up a three-dimensional network.

| S-EPMC3007843 | biostudies-literature

{2,2'-[(5-Bromo-pyridine-2,3-di-yl)bis-(nitrilo-methyl-idyne)]diphenolato}chlorido(N,N-dimethyl-formamide)iron(III).

Project description:In the title complex, [Fe(C(19)H(12)BrClN(3)O(2))(C(3)H(7)NO)], the Fe(III) atom is coordinated by an N,N,O,O-tetra-dentate Schiff base ligand and trans coordinated by a chloride anion and the O atom of an N,N-dimethyl-formamide mol-ecule. The resulting geometry is distorted octa-hedral within a ClN(2)O(3) donor set.

| S-EPMC2970197 | biostudies-other

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