Browse
Submit Data
Databases
API
Help

Dataset Information

29 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(1R,2S)-N,N'-Bis[(E)-1H-pyrrol-2-yl-methyl-idene]cyclo-hexane-1,2-diamine monohydrate.

ABSTRACT: The title compound, C16H20N4·H2O, was synthesized from cis-1,2-diamino-cyclo-hexane (a racemic mixture of the (1R,2S) and (1S,2R) enanti-omers). The compound crystallized with two mol-ecules (A and B) in the asymmetric unit with a single water solvent mol-ecule per Schiff base mol-ecule. Mol-ecules A and B have similar conformations as illustrated by the least-squares-fit with an r.m.s. deviation of 0.242 Å. The mol-ecules within the asymmetric unit are bridged by hydrogen bonds to the two water mol-ecules, resulting in a heterotetramer. The water mol-ecule acts as both a hydrogen-bond donor and acceptor. The pyrrole-imine units are not co-planar, making an angle of 73.9 (3)° and 76.9 (3)° in mol-ecules A and B, respectively.

SUBMITTER: Akerman KJ

PROVIDER: S-EPMC3588954 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

(1R,2R)-N,N'-Dimethyl-cyclo-hexane-1,2-diamine.

Project description:The molecule of the title compound, C(8)H(18)N(2), possesses C(2) symmetry. Owing to its stereochemistry, it is used in the synthesis of chiral ligands and metal complexes for asymmetric synthesis. The cyclo-hexane ring shows a chair conformation with the amino groups in equatorial positions. Contrary to the literature, the title compound is not a liquid, but a crystalline solid at room temperature (293 K). The absolute configuration is assigned from the synthesis.

| S-EPMC2960996 | biostudies-literature

(1R,2R)-N,N'-Bis[1-(2-pyrid-yl)ethyl-idene]cyclo-hexane-1,2-diamine.

Project description:In the title compound, C(20)H(24)N(4), the cyclo-hexane ring adopts a chair conformation with the two imine groups linked at equatorial positions. The two halves of the mol-ecule are related by a crystallographic twofold rotation axis. The dihedral angle between the pyridine rings is 75.73?(3)°.

| S-EPMC2979034 | biostudies-literature

(1R,2R)-N,N'-Diisobutyl-N,N'-dimethyl-cyclo-hexane-1,2-diamine.

Project description:The title compound, C(16)H(34)N(2), is a chiral diamine with fixed R configuration at both stereogenic carbon centres of the cyclo-hexane backbone. Due to their different substituents, the two N atoms also become stereogenic. In the crystal structure, the configuration at one of the two nitro-gen centres is fixed, with the free electron pair pointing inward and the isobutyl group in a trans position towards the cyclo-hexane backbone resulting in an R configuration. The isobutyl group at the second N atom, however, is disordered with 75% S configuration and 25% R configuration. In both cases, the isobutyl group is arranged in a trans position towards the cyclo-hexane backbone.

| S-EPMC2977656 | biostudies-literature

(1R*,2S*,4S*,5R*)-Cyclo-hexane-1,2:4,5-tetra-carb-oxy-lic dianhydride.

Project description:The title compound, C(10)H(8)O(6), a promising raw material to obtain colorless polyimides which are applied to microelectronic and optoelectronic devices, adopts a folded conformation in which the dihedral angle between the two anhydro rings is 55.15?(8)°. The central six-membered ring assumes a conformation inter-mediate between boat and twist-boat. In the crystal, mol-ecules are linked by weak C-H?O inter-actions, forming a layer parallel to the bc plane.

| S-EPMC3297306 | biostudies-literature

{(1R,2R)-N,N'-Bis[2-(N-methyl-anilino)benzyl-idene]cyclo-hexane-1,2-diamine-?N,N'}dichloridoiron(II).

Project description:In the title compound, [FeCl(2)(C(34)H(36)N(4))], the Fe(II) ion is coordinated by two Cl atoms and by two N atoms from a (1R,2R)-N,N'-bis[2-(N-methyl-anilino)benzyl-idene]cyclo-hexane-1,2-diamine ligand in a distorted tetra-hedral geometry. The mol-ecule has approximate C(2) point symmetry. The dihedral angles between the phenyl and benzene rings on either side of the ligand are 64.56?(14) and 65.61?(13)°.

| S-EPMC3254328 | biostudies-literature

Bis[N,N'-bis-[(1H-pyrrol-2-yl)methyl-ene]cyclo-hexane-1,2-diamine]titanium(IV) tetra-hydro-furan solvate.

Project description:In the title compound, [Ti(C(16)H(18)N(4))(2)]·C(4)H(8)O, the Ti(IV) ion is chelated by two Schiff base dianions with a TiN(8) distorted square-anti-prismatic coordination geometry. The two cyclo-hexane rings assume the typical chair conformation. No hydrogen bonding is observed in the crystal structure.

| S-EPMC2960382 | biostudies-literature

(1R,2R,E,E)-N,N'-Bis(4-chloro-benzyl-idene)cyclo-hexane-1,2-diamine.

Project description:The title Schiff base ligand, C(20)H(20)Cl(2)N(2), was prepared by condensation of commercially available p-chloro-benzalde-hyde and (R,R)-1,2-diammonium-cyclo-hexane mono-(+)-tartrate. The cyclo-hexane ring adopts a chair conformation. The dihedral angle between the two aromatic rings is 62.52?(8)°. The crystal structure is stabilized by an inter-molecular C-H?Cl hydrogen bond.

| S-EPMC3275080 | biostudies-other

(E,E)-N,N'-Bis-(4-methoxy-benzyl-idene)cyclo-hexane-1,2-diamine.

Project description:In the title compound, C(22)H(26)N(2)O(2), the meth-oxy and the benzyl-idene groups are essentially coplanar, and the cyclo-hexane ring has a chair conformation. The two halves of the mol-ecule are related by a twofold rotation. The crystal structure is stabilized only by van der Waals inter-actions.

| S-EPMC2962231 | biostudies-literature

cis-N,N-Bis(2-hy-droxy-benzyl-idene)cyclo-hexane-1,2-diamine.

Project description:In the title compound, C(20)H(22)N(2)O(2), the cyclo-hexane ring adopts a chair conformation and the two N atoms bonded to salicyl-idene groups are in cis positions. Both hy-droxy groups are involved in intra-molecular O-H⋯N hydrogen bonding and the two benzene rings form a dihedral angle of 60.5 (1)°.

| S-EPMC3239038 | 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⋯π inter-actions, generating a three-dimensional supramolecular architecture.

| S-EPMC3998335 | biostudies-literature