Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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].

SUBMITTER: Wu C

PROVIDER: S-EPMC3212326 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Wu Chao C Zhao Long L Xia Ai-Bao AB

Acta crystallographica. Section E, Structure reports online 20110706 Pt 8

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]. ...[more]

PMID: 22090983

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

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

Project description: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.

| S-EPMC3011465 | 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

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,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

(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

(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-Amino-2-(2-chloro-phen-yl)cyclo-hexa-none.

Project description:The crystal structure of the title compound, C(12)H(14)ClNO, was determined in order to confirm that the chiral center of the mol-ecule has an S configuration. The cyclo-hexa-none ring adopts a chair conformation. The 2-chloro-phenyl ring is slightly twisted from the axial C-N bond, with a N-C-C-C torsion angle of -5.7?(2)°. In the crystal, an inter-molecular N-H?O hydrogen bond links adjacent mol-ecules into an infinite chain, which propagates in the b-axis direction.

| S-EPMC3100030 | biostudies-literature

cis-2,6-Dibenzyl-cyclo-hexa-none.

Project description:In the title compound, C(20)H(22)O, the mol-ecule is a meso isomer with the two benzyl groups cis to each other. The central cyclo-hexa-none ring adopts a chair conformation. The mol-ecule lies on a noncrystallographic mirror plane and the dihedral angles of the benzyl groups with respect to the ketone moiety are 88.06?(6) and 89.07?(6)°.

| S-EPMC2968598 | biostudies-literature

2,2,6,6-Tetra-bromo-3,4,4,5-tetra-meth-oxy-cyclo-hexa-none.

Project description:In the title compound, C10H14Br4O5, synthesized from the meth-oxy Schiff base N-(pyridin-2-ylmeth-yl)meth-oxy-aniline and mol-ecular bromine, the cyclo-hexa-none ring has a chair conformation with one of the four meth-oxy groups equatorially orientated with respect to the carbonyl group and the others axially orientated. The C-Br bond lengthsvary from 1.942?(4) to1.964?(4)?Å. In the crystal, weak C-H?Ocarbon-yl hydrogen-bonding inter-actions generate chains extending along the b-axis direction. Also present in the structure are two short inter-molecular Br?Ometh-oxy inter-actions [3.020?(3) and 3.073?(4)?Å].

| S-EPMC4120536 | biostudies-other

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