Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

13c-(2-Chloro-ethoxy)-1,13c-dihydro-2,3-epoxy-dibenzo[a,kl]xanthan-1-one.

ABSTRACT: The title compound, C(22)H(15)ClO(4), containing three chiral C atoms, is an inter-mediate in the design of chiral alcohols. In the crystal structure, a chain structure is generated through C-H?O contacts and an intramolecular C-H?O interaction also occurs. The dihedral angle between the benzene ring and the naphthalene system is 16.5°.

SUBMITTER: Chen JX

PROVIDER: S-EPMC2959592 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

13c-(2-Chloro-ethoxy)-1,13c-dihydro-2,3-epoxy-dibenzo[a,kl]xanthan-1-one.

Chen Jin-Xiang JX Wang Yu-Qin YQ Wu Shu-Guang SG Jiang Zhi-Hong ZH Chen Zhi-Peng ZP

Acta crystallographica. Section E, Structure reports online 20081004 Pt 11

The title compound, C(22)H(15)ClO(4), containing three chiral C atoms, is an inter-mediate in the design of chiral alcohols. In the crystal structure, a chain structure is generated through C-H⋯O contacts and an intramolecular C-H⋯O interaction also occurs. The dihedral angle between the benzene ring and the naphthalene system is 16.5°. ...[more]

PMID: 21580935

Similar Datasets

2-(2-Chloro-phen-yl)-2,3-dihydro-quinazolin-4(1H)-one.

Project description:The title compound, C(14)H(11)ClN(2)O, was synthesized by the reaction of 2-chloro-benzaldehyde and 2-amino-benzamide in an ionic liquid. The pyrimidine ring adopts a skew-boat conformation and the two benzene rings make a dihedral angle of 87.1 (1)°. In the crystal, N-H⋯O and C-H⋯N hydrogen bonding links the mol-ecules along b.

| S-EPMC2970036 | biostudies-literature

2-(2-Chloro-6,7-dimethyl-quinolin-3-yl)-2,3-dihydro-quinolin-4(1H)-one.

Project description:In the title mol-ecule, C(20)H(17)ClN(2)O, the dihedral angle between the mean plane of the quinoline ring system and the benzene ring of the dihydro-quinolinone moiety is 57.84?(8)°. In the crystal, mol-ecules are linked into centrosymmetric dimers via pairs of inter-molecular N-H?N hydrogen bonds. These dimers are further stabilized by weak ?-? stacking inter-actions between pyridine rings with a centroid-centroid distance of 3.9414?(12)?Å.

| S-EPMC3213526 | biostudies-literature

rac-2-(2-Chloro-6-methyl-quinolin-3-yl)-2,3-dihydro-quinolin-4(1H)-one.

Project description:In the title compound, C(19)H(15)ClN(2)O, the quinoline ring forms a dihedral angle of 43.24?(1)° with the benzene ring of the dihydroquinolinyl system. In the crystal, mol-ecules are linked through a single weak C-H?O hydrogen bond, forming ribbons which extend along (100), giving alternating zigzag mol-ecular layers which stack down the b-axis direction.

| S-EPMC3379295 | biostudies-literature

(E)-2-(3-Chloro-benzyl-idene)-5,6-dimeth-oxy-2,3-dihydro-1H-inden-1-one.

Project description:In the title compound, C(18)H(15)ClO(3), the dihydro-indenone group makes a dihedral angle of 8.56 (6)° with the bezene ring. In the crystal, the mol-ecules are inter-connected into a three-dimensional network via inter-molecular C-H⋯O hydrogen bonds. Weak C-H⋯π and π⋯π [centroid-centroid distances 3.6598 (9)-3.6913 (9) Å] inter-actions are also observed.

| S-EPMC3008978 | biostudies-literature

2,3-Dihydro-1H-pyrrolizin-1-one.

Project description:There are two nearly identical mol-ecules in the asymmetric unit of the title compound, C(7)H(7)NO. The mol-ecules are nearly planar (r.m.s. deviations of 0.025 and 0.017 Å) and oriented at a dihedral angle of 28.98 (3)°. The two mol-ecules are linked by a C-H⋯O hydrogen bond. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into zigzag chains along the c axis.

| S-EPMC2983252 | biostudies-literature

6-(2-Chloro-benz-yl)-1-(4-chloro-phen-yl)-7-hy-droxy-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-5-one.

Project description:The title compound, C(19)H(15)Cl(2)N(3)O(2), was obtained by a one-step cyclo-condensation of 2-amino-1-(4-chloro-phen-yl)imidazoline with diethyl (2-chloro-benz-yl)malonate under basic conditions. In the crystalline state, the mol-ecule exists as the 7-hy-droxy-5-oxo tautomer. The dihedral angles between the fused imidazopyrimidine and aromatic chloro-phenyl and chloro-benzyl rings are 14.2 (1) and 70.7 (1)°, respectively. The conformation of the mol-ecule is influenced by the intra-molecular C-H⋯O and C-H⋯N hydrogen bonds, giving a nearly planar five-ring fused system [maximum deviation from the mean plane = 0.296 (2) Å]. In the crystal structure, strong inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into chains along the c axis. These chains are further stabilized by weak C-H⋯Cl and π-π inter-actions [centroid-centroid distance = 3.6707 (12) Å].

| S-EPMC3009369 | biostudies-literature

2,2,10-Trimethyl-2,3-dihydro-pyrano[2,3-a]carbazol-4(11H)-one.

Project description:The title compound, C(18)H(17)NO(2), was prepared from 1-hydr-oxy-8-methyl-carbazole and 3,3-dimethyl-acrylic acid with trifluoro-acetic acid as the cyclization catalyst. Due to the -CMe(2)- group, the mol-ecule is not quite planar. The packing is dominated by the strong N-H⋯O hydrogen bonds and some weaker C-H⋯O and C-H⋯π inter-actions. π-π Stacking inter-actions [centroid-centroid separation = 3.806 (2) Å] join neighboring mol-ecules into loosely connected inversion dimers.

| S-EPMC2959518 | biostudies-literature

2,2-Dimethyl-2,3-dihydro-pyrano[2,3-a]carbazol-4(11H)-one.

Project description:The title compound, C(17)H(15)NO(2), was prepared from 1-hydroxy-carbazole and 3,3-dimethyl-acrylic acid with a mixture of AlCl(3) and POCl(3) as the cyclization catalyst. Owing to the presence of the -CMe(2)- group, the mol-ecule is not quite planar. In the crystal structre, strong N-H⋯O hydrogen bonds and weaker C-H⋯π inter-actions occur, and a slipped π-π stacking inter-action [centroid-centroid separation = 3.8425 (8) Å] is also observed.

| S-EPMC2959512 | biostudies-literature

2,2,9-Trimethyl-2,3-dihydro-pyrano[2,3-a]carbazol-4-(11H)-one.

Project description:The title compound, C(18)H(17)NO(2), was prepared from 1-hydr-oxy-7-methyl-carbazole and 3,3-dimethyl-acrylic acid with trifluoro-acetic acid as the cyclization catalyst. The mol-ecules contain an essentially planar 6-methyl-indole unit. The second aromatic ring is significantly bent away from the plane of this unit, with maximum deviations of 0.171 (1) and 0.185 (1) Å for two of the C atoms. In the crystal structure, there are neither N-H⋯O hydrogen bonds nor π-π stacking between the aromatic sections of neighboring mol-ecules. There is only one weak C-H⋯O hydrogen bond and a number of weak C-H⋯π inter-actions.

| S-EPMC2959763 | biostudies-literature

7-Chloro-1,2-dihydro-furo[2,3-c]isoquinolin-5-amine.

Project description:In the title compound, C(11)H(9)ClN(2)O, the fused-ring system is essentially planar, with a maximum deviation of 0.0323?(16)?Å. In the crystal, mol-ecules are connected by N-H?O hydrogen bonds forming a zigzag chain along the c axis. Mol-ecules are further stacked along the a axis through weak ?-? inter-actions, the shortest distance between ring centroids being 3.6476?(8)?Å.

| S-EPMC3009143 | 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