Browse
Submit Data
Databases
API
Help

Dataset Information

33 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4,4'-{[1,1'-Methyl-enebis(naphthalene-2,1-di-yl)]bis-(-oxymethyl-ene)}di-benzo-nitrile.

ABSTRACT: There are two independent mol-ecules in the asymmetric unit of the title compound, C(37)H(26)N(2)O(2). The crystal structure is stabilized by a weak intra-molecular hydrogen bond as well as C-H⋯π inter-actions.

SUBMITTER: Zhao YY

PROVIDER: S-EPMC2960981 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

3,3'-{1,1'-Methyl-enebis[naphthalene-2,1-diylbis(oxymethyl-ene)]}dibenzonitrile.

Project description:The title compound, C(37)H(26)N(2)O(2), was synthesized from 1,1'-methyl-enedinaphthalen-2-ol and 3-(bromo-methyl)-benzo-nitrile. The two naphthyl systems are almost perpendicular to each other [dihedral angle 83.3 (9)°] and the two cyano-benz-yloxy rings approximately parallel to each other [dihedral angle 15.5 (2)°].

| S-EPMC2961493 | biostudies-literature

1,1'-{2,2'-[1,4-Phenyl-enebis(methyl-ene)]bis-(-oxy)bis-(2,1-phenyl-ene)}diethanone.

Project description:The asymmetric unit of the title compound, C(24)H(22)O(4), contains one half-mol-ecule, the other half being generated by a crystallographic center of inversion. The central benzene ring makes a dihedral angle of 72.49 (5)° with the terminal benzene ring. In the crystal, adjacent mol-ecules are linked through C-H⋯O inter-actions, forming a sheet structure parallel to the bc plane. The sheets are stacked along the a axis via π-π inter-actions formed between the terminal benzene rings [centroid-centroid separation = 3.7276 (6) Å].

| S-EPMC3247415 | biostudies-literature

Di-tert-Butyl 2,2'-[2,2'-methyl-enebis(naphthalene-2,1-diyldi-oxy)]diacetate.

Project description:In the title compound, C(33)H(36)O(6), two naphthalene ring systems are connected through a methyl-ene linkage [C-C-C = 114.9 (2)°]; the ring systems are aligned at an angle of 76.5 (1)°. Of the two -O-CH(2)-C(=O)-C(CH(3))(3) substituents, one adopts an extended conformation whereas the other is U-shaped. In the crystal, mol-ecules are linked via weak C-H⋯O hydrogen bonding, forming supra-molecular chains running along the c axis.

| S-EPMC3051626 | biostudies-literature

3,3'-Di-tert-butyl-1,1'-[1,3-phenyl-enebis(methyl-ene)]diurea.

Project description:The title compound, C(18)H(30)N(4)O(2), contains two tert-butyl urea groups, each connected to a benzene ring though a methyl-ene group. One of the groups occupies a position almost normal to the aromatic plane with a C-N-C-C torsion angle of -94.4?(4)°, while the other is considerably twisted from the ring with a C-N-C-C torsion angle of -136.1?(4)°. In the crystal, pairs of mol-ecules are connected to each other, forming centrosymmetric dimers in which two NH groups of one mol-ecule act as hydrogen-bond donors to one carbonyl O atom of the other mol-ecule. The dimers are linked into sheets parallel to (100) by N-H?O hydrogen bonds involving the remaining N-H and C=O groups.

| S-EPMC2983681 | biostudies-literature

3,3'-Bis(quinolin-8-yl)-1,1'-[4,4'-methyl-enebis(4,1-phenyl-ene)]diurea.

Project description:The title compound, C(33)H(26)N(6)O(2), contains two 3-(quinolin-8-yl)urea groups linked to a diphenyl-methane. The asymmetric unit contains two mol-ecules, A and B. Each quinoline plane is essentially parallel to the attached urea unit [dihedral angles = 8.97?(18) and 8.81?(19) in molecule A and 18.47?(18) and 4.09?(19)° in molecule B]. The two benzene rings are twisted, making dihedral angles of 81.36?(8)° in A and 87.20?(9)° in B. The molecular structures are stabilized by intramolecular N-H?N hydrogen bonds. In the crystal, each urea O atom is involved in two N-H?O hydrogen bonds, generating two inter-penetrating three-dimensional sets of mol-ecules.

| S-EPMC3254500 | 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

Crystal structure of 4,4'-bipyridine-1,1'-diium naphthalene-2,6-di-sulfonate dihydrate.

Project description:The title hydrated mol-ecular organic salt, C10H10N2 (2+)·C10H6O6S2 (2-)·2H2O, crystallized with half a bipyridinium cation, half a naphthalene-2,6-di-sulfonate anion and a water mol-ecule in the asymmetric unit. The whole cation and anion are generated by inversion symmetry, the inversion centers being at the center of the bridging C-C bond of the cation, and at the center of the fused C-C bond of the naphthalene group of the anion. In the crystal, the anions and cations stack alternately along the a axis with π-π inter-actions [inter-centroid distance = 3.491 (1) Å]. The anions are linked via O-H⋯O(sulfonate) hydrogen bonds involving two inversion-related water mol-ecules, forming chains along [10-1]. These chains are bridged by bifurcated N-H⋯(O,O) hydrogen bonds, forming a three-dimensional framework structure. There are also C-H⋯O hydrogen bonds present, reinforcing the framework structure.

| S-EPMC4186165 | biostudies-literature

4,4'-({[(Pyridine-2,6-di-yl)bis-(methyl-ene)]bis-(-oxy)}bis-(methyl-ene))dibenzo-nitrile.

Project description:The complete title molecule, C23H19N3O2, is generated by a twofold axis passing through the central ring. The two oxymethyl-benzo-nitrile arms are attached at the meta positions of the central pyridine ring. The dihedral angle between the pyridine ring and benzene ring of both arms is 84.55 (6)° while the benzene rings make a dihedral angle of 46.07 (7)°. In the crystal, weak C-H⋯π inter-actions link the molecules sheets parallel to the ac plane.

| S-EPMC3998298 | biostudies-literature

catena-Poly[(acetato-chloridozinc)-μ-1,1'-[1,4-phenyl-enebis(methyl-ene)]di-1H-imidazole].

Project description:The title compound, [Zn(CH(3)CO(2))Cl(C(14)H(14)N(4))](n), is a one-dimensional coordination polymer in which the Zn(II) ion is tetrahedrally -coordinated by two N atoms of a bridging 1,1'-[1,4-phenyl-enebis(methyl-ene)]di-1H-imidazole ligand, an acetate O atom and a Cl atom. The Cl atom, two acetate O atoms and two acetate C atoms are located on a mirror plane. The coordination of the diimidazole ligand to the Zn(II) ion gives an infinite one-dimensional zigzag structure along the b-axis direction with the charge balanced by the chloride and acetate ions.

| S-EPMC3569199 | biostudies-literature

3,3'-Di-n-propyl-1,1'-[p-phenyl-enebis(methyl-ene)]diimidazolium dibromide.

Project description:The asymmetric unit of the title compound, C(20)H(28)N(4) (2+)·2Br(-), consists of half a 3,3'-di-n-propyl-1,1'-[p-phenyl-enenis(methyl-ene)]diimidazolium cation and a bromide anion. The cation is located on an inversion center and adopts an ?AAA? trans conformation. In the crystal, the cation is linked to the anions via weak C-H?Br hydrogen bonds.

| S-EPMC3212318 | 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