Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,6-Bis(2-chloro-benzyl-idene)cyclo-hexanone.

ABSTRACT: In the title mol-ecule, C(20)H(16)Cl(2)O, the central cyclo-hexa-none ring adopts an envelope conformation. The two aromatic rings form a dihedral angle of 30.0?(1)°. The crystal packing exhibits weak inter-molecular C-H?O hydrogen bonds and short Cl?O contacts [3.213?(3)?Å].

SUBMITTER: Liu D

PROVIDER: S-EPMC2968786 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,6-Bis(2-chloro-benzyl-idene)cyclo-hexanone.

Liu Deyun D

Acta crystallographica. Section E, Structure reports online 20090306 Pt 4

In the title mol-ecule, C(20)H(16)Cl(2)O, the central cyclo-hexa-none ring adopts an envelope conformation. The two aromatic rings form a dihedral angle of 30.0 (1)°. The crystal packing exhibits weak inter-molecular C-H⋯O hydrogen bonds and short Cl⋯O contacts [3.213 (3) Å]. ...[more]

PMID: 21582435

Similar Datasets

(2E,6E)-2,6-Bis(2,6-dichloro-benzyl-idene)-cyclo-hexa-none.

Project description:The title compound, C(20)H(14)Cl(4)O, was prepared by the reaction of 2,6-dichloro-benzaldehyde and cyclo-hexa-none. In the mol-ecule, the central cyclo-hexa-none ring adopts an envelope conformation, while the terminal benzene rings make a dihedral angle of 57.87 (9)°.

| S-EPMC3297849 | biostudies-literature

2,6-Bis(2,4-dimethyl-benzyl-idene)cyclo-hexa-none.

Project description:In the crystal structure of the title compound, C(24)H(6)O, the mol-ecule exhibits point symmetry m but the mirror plane is not utilized as part of the space-group symmetry. The structure contains face-to-face inter-actions between the 2,4-dimethyl-benzyl-idene substituents in which the methyl groups lie directly above the centroids of adjacent benzene rings.

| S-EPMC2979581 | biostudies-literature

2,6-Bis(4-methoxy-benzyl-idene)cyclo-hexa-none.

Project description:In the title mol-ecule, C(22)H(22)O(3), the central cyclo-hexa-none ring adopts an envelope conformation. The two outer aromatic rings form a dihedral angle of 19.3 (2)°. The crystal packing exhibits weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2968856 | biostudies-literature

2,6-Bis(2,4-dichloro-benzyl-idene)cyclo-hexa-none.

Project description:The title compound, C(20)H(14)Cl(4)O, was prepared from a mixture of 2,4-dichloro-benzophenone and cyclo-hexa-none. The dihedral angles formed by the cyclohexane ring and two benzene rings are 39.18 (2) and 60.72 (2)°. There are some weak intra-molecular C-H⋯O and C-H⋯Cl hydrogen-bond contacts in the crystal structure.

| S-EPMC2962235 | biostudies-literature

(2E,6E)-2,6-Bis(2,4,5-trimethoxy-benzyl-idene)cyclo-hexa-none.

Project description:In the title compound, C(26)H(30)O(7), one atom in the cyclo-hexa-none ring is disordered over two positions with a site-occupancy ratio of 0.871 (6):0.129 (6). The dihedral angles formed between the mean plane through the six C atoms of the major component of the cyclo-hexa-none ring and two benzene rings are 35.09 (10) and 34.21 (10)°; the corresponding angles for the minor component are 20.1 (2) and 19.5 (2)°. Both the major and minor disordered components of the cyclo-hexa-none ring adopt half-boat conformations. In the crystal packing, inter-molecular C-H⋯O hydrogen bonds connect the mol-ecules into a three-dimensional network.

| S-EPMC2983730 | biostudies-literature

(2E,6E)-2,6-Bis(2,5-difluoro-benzyl-idene)cyclo-hexa-none.

Project description:In the title compound, C(20)H(14)F(4)O, a derivative of curcumin, the dihedral angle between the two aromatic rings is 27.19?(13)°. The C=C double bonds have an E configuration.

| S-EPMC2979293 | biostudies-literature

(2E,6E)-2,6-Bis(4-ethoxy-benzyl-idene)cyclo-hexa-none.

Project description:The title compound, C(24)H(26)O(3), was prepared by the condensation reaction of 4-ethoxy-benzaldehyde with cyclo-hexa-none. The mol-ecule has crystallographic mirror symmetry and exhibits a butterfly-shaped geometry, with a dihedral angle of 5.46 (1)° between the two benzene rings. Weak inter-molecular C-H⋯π inter-actions help stabilize the crystal structure.

| S-EPMC2959723 | biostudies-literature

(2E,6E)-2,6-Bis(4-methyl-benzyl-idene)cyclo-hex-3-en-1-one.

Project description:The title compound, C(22)H(20)O, shows an approximately planar cyclo-hexenone ring [maximum deviation = 0.069 (4) Å], with a disordered position of the C=C bond [ratio = 0.71 (2)/0.29 (2)]. The benzene rings of the 4-methyl-benzyl-idene units, attached in the 2- and 6-positions to the cyclo-hexenone ring, are rotated in the same direction by 28.6 (4) and 22.4 (4)°, with respect to the mean plane of the cyclo-hexenone ring [fraction 0.71 (2); maximum deviation = 0.06 (3) Å]. In the crystal, mol-ecules are packed in the manner of a distorted hexa-gonal rod packing with their long axes all aligned along [201]. A number of C-H⋯π inter-actions stablize the crystal structure.

| S-EPMC3275037 | biostudies-literature

(2E,6E)-2,6-Bis(2-fluoro-5-meth-oxy-benzyl-idene)cyclo-hexan-1-one.

Project description:The title compound, C(22)H(20)F(2)O(3), a derivative of curcumin, crystallized with two independent mol-ecules in the asymmetric unit. The mean planes of the two 2-fluoro-5-meth-oxy-phenyl groups are aligned at 24.88 (11)° in one mol-ecule and 24.19 (15)° in the other. The dihedral angles between the mean plane of the penta-1,4-dien-3-one group and those of the two 2-fluoro-5-meth-oxy-phenyl rings are 51.16 (11) and 49.16 (10)° in the first mol-ecule, and 45.69 (15) and 54.00 (14)° in the second. The mol-ecules adopt E configurations about the central olefinic bonds.

| S-EPMC3011608 | biostudies-literature

Bis(4-chloro-benzyl-ammonium) tetra-kis(2,6-diethyl-anilinium) cyclo-hexa-phosphate tetra-hydrate.

Project description:In the crystal of the title hydrated mol-ecular salt, 2C(7)H(9)ClN(+)·4C(10)H(16)N(+)·P(6)O(18) (6-)·4H(2)O, the packing consists of a three-dimensional O-H⋯O and N-H⋯O hydrogen-bonded network resulting from the association of anionic layers built up from centrosymmetric cyclohexaphosphate ions and water mol-ecules and the two types of organic cations.

| S-EPMC2968505 | biostudies-literature

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