Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Trans-2-(2-Nitro-1-phenyl-eth-yl)cyclo-hexa-none.

ABSTRACT: In the title compound, C(14)H(17)NO(3), the plane of the phenyl ring and the least-squares plane of the cyclo-hexyl moiety enclose an angle of 89.14?(6)°. The cyclohexyl ring adopts a chair conformation. In the crystal, the molecules are linked by weak C-H?O bonds, with each of the nitro-O atoms accepting two such interactions.

SUBMITTER: Zenz I

PROVIDER: S-EPMC3011465 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

trans-2-(2-Nitro-1-phenyl-eth-yl)cyclo-hexa-none.

Zenz Ivo I Mayr Herbert H Mayer Peter P

Acta crystallographica. Section E, Structure reports online 20101113 Pt 12

In the title compound, C(14)H(17)NO(3), the plane of the phenyl ring and the least-squares plane of the cyclo-hexyl moiety enclose an angle of 89.14 (6)°. The cyclohexyl ring adopts a chair conformation. In the crystal, the molecules are linked by weak C-H⋯O bonds, with each of the nitro-O atoms accepting two such interactions. ...[more]

PMID: 21589437

Similar Datasets

Cyclo-hexa-none 2-nitro-phenyl-hydrazone.

Project description:In the title Schiff base compound, C(12)H(15)N(3)O(2), obtained from a condensation reaction of cyclo-hexa-none and 2-nitro-phenyl-hydrazine, the phenyl-hydrazone group is planar, the largest deviation from the mean plane being 0.0252?(12)?Å, and the nitro fragment is twisted slightly with respect to the mean plane, making a dihedral angle of 6.96?(17)°. The cyclo-heaxanone ring displays a chair conformation. An intra-molecular N-H?O hydrogen bond helps to stabilize the mol-ecular structure.

| S-EPMC2979490 | biostudies-literature

2-[(Anilino)(2-nitro-phen-yl)meth-yl]cyclo-hexa-none.

Project description:In the title compound, C(19)H(20)N(2)O(3), the cyclo-hexa-none ring adopts a chair conformation with the amino-methyl group is positioned equatorially. An intra-molecular N-H?O hydrogen bond occurs. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds.

| S-EPMC3470191 | biostudies-literature

(S)-2-[(S,Z)-3-Bromo-1-nitro-4-phenyl-but-3-en-2-yl]cyclo-hexa-none.

Project description:In the crystal structure of the title compound, C(16)H(18)BrNO(3), the two stereogenic centres both have an S configuration. The cyclo-hexyl ring adopts a chair conformation. In the crystal, mol-ecules are linked by weak N-O?Br contacts [O?Br = 3.289?(4)?Å].

| S-EPMC3212326 | biostudies-literature

(2S,4S)-2-[(S,E)-2-Bromo-1-nitro-methyl-3-phenyl-all-yl]-4-methyl-cyclo-hexa-none.

Project description:The crystal structure of the title compoud, C(17)H(20)BrNO(3), contains three chiral centers, which all exhibit an S configuration. The C=C double bond has an E conformation. The cyclo-hexane ring is in a chair conformation. In the crystal, mol-ecules are linked by weak N-O?Br inter-actions [O?Br = 3.136?(4)?Å].

| S-EPMC3344181 | biostudies-literature

(2S,4R)-2-[(1R)-1-(4-Bromo-phen-yl)-2-nitro-eth-yl]-4-ethyl-cyclo-hexa-none.

Project description:The crystal structure of the title compound, C(16)H(20)BrNO(3), contains three chiral centers in the configuration 1R,2S,6R. The cyclo-hexane ring is in a chair conformation. In the crystal, mol-ecules are linked by weak C-H?O inter-actions, forming chains along the a-axis direction.

| S-EPMC3569793 | biostudies-other

trans-4-Nitro-phenyl 4-(tosyl-oxymeth-yl)cyclo-hexa-necarboxyl-ate.

Project description:The title compound, C(21)H(23)NO(7)S, is an important inter-mediate in the synthesis of poly(amido-amine) dendrimers. The cyclo-hexane ring adopts a chair conformation. The dihedral angle between the two aromatic rings is 69.5?(2)°. The mol-ecules are linked into a zigzag chain along the b axis by C-H?O hydrogen bonds.

| S-EPMC2960325 | biostudies-other

trans-4-[(Phenyl-sulfon-yloxy)meth-yl]cyclo-hexa-necarboxylic acid.

Project description:The title compound, C(14)H(18)O(5)S, is an important inter-mediate for the synthesis of poly(amido-amine) dendrimers. The cyclo-hexane ring adopts a chair conformation with its two substituents in equatorial positions. In the crystal structure, mol-ecules form centrosymmetric dimers via O-H?O hydrogen bonds.

| S-EPMC2960730 | biostudies-literature

(E)-2-Methyl-6-[(1-phenyl-1H-pyrazol-4-yl)methyl-idene]cyclo-hexa-none.

Project description:The asymmetric unit of the title compound, C(17)H(18)N(2)O, contains two independent mol-ecules. In both, the cyclo-hexane ring adopts a flattened chair conformation, and the 3- and 4-methyl-ene C atoms as well as the methyl C atoms are disordered over two positions, the occupancy of the major component being 68 (1)% in one mol-ecule and 64 (1)% in the other. The phenyl and pyrazole rings in both mol-ecules are approximately coplanar, the r.m.s. deviations being 0.048 and 0.015 Å, respectively. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure.

| S-EPMC3151926 | biostudies-literature

(S)-2-[(S,E)-4-(4-Chloro-phen-yl)-1-nitro-but-3-en-2-yl]cyclo-hexa-none.

Project description:The title compound, C(16)H(18)ClNO(3), was obtained by the organocatalytic asymmetric Michael addition of cyclo-hexa-none to 1-chloro-4-[(1E,3E)-4-nitro-buta-1,3-dien-yl]benzene. The double bond has an E configuration. The cyclo-hexa-none ring adopts a chair conformation. The conformation of the mol-ecule is stabilized by a weak intra-molecular C-H?O hydrogen bond.

| S-EPMC2977405 | biostudies-literature

trans-{1,8-Bis[(S)-1-phenyl-eth-yl]-1,3,6,8,10,13-hexa-aza-cyclo-tetra-deca-ne}bis(thio-cyanato--?N)copper(II).

Project description:In the title thio-cyanate-coordinated aza-macrocyclic copper(II) complex, [Cu(NCS)(2)(C(24)H(38)N(6))], the Cu(II) atom is coordinated by the four secondary N atoms of the aza-macrocyclic ligand and by the two N atoms of the thio-cyanate ions in a tetra-gonally distorted octa-hedral geometry. The average equatorial Cu-N bond length is shorter than the average axial Cu-N bond length [2.010?(2) and 2.528?(4)?Å, respectively]. An N-H?N hydrogen-bonding inter-action between the secondary amine N atom and the adjacent thio-cyanate ion leads to a polymeric chain along the a axis.

| S-EPMC3007561 | 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