Browse
Submit Data
Databases
API
Help

Dataset Information

32 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4,4',6,6'-Tetra-hydro-seleno-2,2'-[(E,E)-cyclo-hexane-1,2-diylbis(nitrilo-methyl-idyne)]diphenol.

ABSTRACT: In the title mol-ecule, C(20)H(22)N(2)O(2)Se(4), the dihedral angle between the pendant aromatic rings is 67.1 (2)°. The conformation is stabilized by two intra-molecular O-H⋯N hydrogen bonds.

SUBMITTER: Wang Q

PROVIDER: S-EPMC2969991 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

(R,R)-4,4'-Dibromo-2,2'-[cyclo-hexane-1,2-diylbis(nitrilo-methyl-idyne)]diphenol.

Project description:The mol-ecule of the title compound, C(20)H(20)Br(2)N(2)O(2), lies on a twofold axis. It contains two stereogenic C atoms with R chirality and thus it is the enatiomerically pure R,R-diastereomer. There is an intra-molecular O-H?N hydrogen bond.

| S-EPMC2971247 | biostudies-literature

6,6'-Dimeth-oxy-2,2'-[(cyclo-hexane-1,2-di-yl)bis-(nitrilo-methyl-idyne)]diphenol.

Project description:The mol-ecule of the title compound, C(22)H(26)N(2)O(4), has two azomethine linkages, both of which are in an E configuration. The cyclo-hexyl ring adopts a chair conformation. The dihedral angle between the benzene rings is 66.57?(9)°. The mol-ecular structure is stabilized by two intra-molecular O-H?N hydrogen bonds.

| S-EPMC3008137 | biostudies-literature

(±)-trans-6,6'-Dieth-oxy-2,2'-[cyclo-hexane-1,2-diylbis(nitrilo-methanylyl-idene)]diphenol monohydrate.

Project description:In the title hydrate, C24H30N2O4·H2O, the organic mol-ecule adopts an E conformation with respect to the azomethine double bonds. The cyclo-hexane ring is in a chair conformation. The dihedral angle between benzene rings is 79.6?(2)°. Two intra-molecular O-H?N hydrogen bonds are present. In the crystal, the components are linked by O-H?O hydrogen bonds and weak C-H?? inter-actions, generating a three-dimensional supramolecular architecture.

| S-EPMC3998335 | biostudies-literature

4,4'-[Piperazine-1,4-diylbis(propyl-ene-nitrilo-methyl-idyne)]diphenol.

Project description:In the title mol-ecule, C(24)H(32)N(4)O(2), the piperazine ring adopts a chair conformation and the dihedral angle between the two benzene rings is 35.4?(1)°. In the crystal structure, inter-molecular O-H?N hydrogen bonds link mol-ecules into chains along [001].

| S-EPMC2972058 | biostudies-literature

6,6'-Dieth-oxy-2,2'-[hexane-1,6-diylbis(nitrilo-methanylyl-idene)]diphenol.

Project description:The title compound, C(24)H(32)N(2)O(4), is a polydentate Schiff base and reveals strong intra-molecular O-H?N hydrogen bonding between the hy-droxy O atom and the imino N atom, with an O?N distance of 2.570?(3)?Å. In the crystal, a centre of inversion is located at the mid-point of the compound. The diimino-hexyl-ene chain is almost ideally in the anti conformation, with an average dihedral angle of 179.0°.

| S-EPMC3099770 | biostudies-literature

Redetermination of 6,6'-dimeth-oxy-2,2'-[hexane-1,6-diylbis(nitrilo-dimethyl-idyne)]diphenol.

Project description:The title compound, C(22)H(28)N(2)O(4), contains two independent centrosymmetric mol-ecules (A and B). In the previous structure determination [Xia et al. (2007 ?). Acta Cryst. E63, o259] both A and B were modelled as neutral mol-ecules with the H atoms of the the O-H groups included in calculated positions. In this redetermination, the transferrable H atoms were located in difference maps and freely refined, indicating that one mol-ecule (A) crystallizes in the neutral (nonzwitterionic) form and the other in the zwitterionic form, namely 6,6'-dimeth-oxy-2,2'-[hexane-1,6-diylbis(nitrilo-dimethyl-idyne)]-di-phenol-6,6'-dimeth-oxy-2,2'-[hexane-1,6-diylbis(nitrilio-di-methyl-idyne)]diphenolate (1/1). This finding is supported by significant differences in the C-O(H) (A) and C-O(-) (B) bond lengths. In the crystal, the zwitterionic mol-ecules (B) are involved in inter-molecular N-H?O hydrogen bonds forming one-dimensional chains along [001]. Each independent mol-ecule forms an intra-molecular O-H?N (A) or N-H?O (B) hydrogen bond. In mol-ecule B, one of the -CH(2)- groups is disordered over two sets of sites with refined occupancies of 0.659?(8) and 0.341?(8).

| S-EPMC3151875 | biostudies-other

A monoclinic polymorph of (R,R)-4,4'-dibromo-2,2'-[cyclo-hexane-1,2-diylbis(nitrilo-methanylyl-idene)]diphenol.

Project description:The title compound, C(20)H(20)Br(2)N(2)O(2), a tetra-dentate Schiff base, is the enanti-omerically pure R,R-diastereomer of four possible stereoisomers. The mol-ecular structure reveals two strong intra-molecular O-H?N hydrogen bonds between the hy-droxy O atom and the imino N atom, which each generate S(6) rings. In the crystal, mol-ecules are stacked in columns along the a axis; when viewed down the b axis, successive columns are stacked in the opposite direction. The structure reported herein is the monoclinic polymorph of the previously reported ortho-rhom-bic form [Yi & Hu (2009 ?). Acta Cryst. E65, o2643], in which the complete mol-ecule is generated by a crystallographic twofold axis.

| S-EPMC3344566 | biostudies-literature

4,4'-Dichloro-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenol.

Project description:The crystal of the title Schiff base compound, C(19)H(20)Cl(2)N(2)O(2), contains of two crystallographically independent mol-ecules with similar conformations. In each mol-ecule, two intramolecular O-H⋯N bonds generate S(6) motifs. The N atoms are also in close proximity to two H atoms of the dimethyl-propane groups, with H⋯N distances between 2.59 and 2.62 Å. The imine group is coplanar with the benzene ring. The dihedral angles between the benzene rings in the two independent mol-ecules are 58.20 (12) and 47.95 (12)°. The structure displays short inter-molecular Cl⋯Cl [3.3869 (11) Å] and Cl⋯O [3.175 (2)-3.204 (2) Å] inter-actions. The crystal structure is further stabilized by weak inter-molecular C-H⋯O, C-H⋯π and π-π [centroid-centroid distances 3.6416 (13)-3.8705 (14) Å] inter-actions.

| S-EPMC2967979 | biostudies-literature

{2,2'-[Cyclo-hexane-1,2-diylbis(nitrilo-methyl-idyne)]diphenolato}nickel(II).

Project description:In the title mononuclear nickel(II) complex, [Ni(C(20)H(20)N(2)O(2))], the Ni atom is four-coordinated in a square-planar geometry by the four donor atoms of the Schiff base ligand. The dihedral angle between the two benzene rings is 9.4?(2)°. The cyclo-hexyl group adopts a C-form chair conformation.

| S-EPMC2968678 | biostudies-literature

6,6'-Dimeth-oxy-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenol.

Project description:The title Schiff base compound, C(21)H(26)N(2)O(4), exhibits two crystallographically independent mol-ecules in the asymmetric unit with similar conformations. The imino groups are coplanar with the benzene rings; the maximum deviations of the N atoms from the planes comprising the benzene rings and the imino groups are -0.037 (4), 0.013 (4), -0.021 (5), and 0.008 (5) Å. The dihedral angles between the benzene rings in the two mol-ecules are 53.64 (17) and 51.93 (17)°. Strong intra-molecular O-H⋯N hydrogen bonds generate S(6) ring motifs. The N atoms are also in close proximity to the H atoms of the dimethyl-propane groups, with H⋯N distances between 2.54 and 2.75 Å. The crystal structure is further stabilized by weak inter-molecular C-H⋯O hydrogen bonds, weak inter-molecular C-H⋯π inter-actions and π-π contacts involving the imine C atom and two C atoms from the adjacent benzene rings.

| S-EPMC2967940 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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