Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-[2-(4-Chloro-phen-yl)propano-yl]-1-methyl-bornane-10,2-sultam.

ABSTRACT: In the mol-ecular structure of the title compound, C(20)H(26)ClNO(3)S, the six-membered ring of the bornane unit shows a boat conformation, while the five-membered ring of the sultam unit adopts a twist conformation. In the crystal structure, mol-ecules are connected by inter-molecular C-H?O hydrogen bonds into a chain running along the b axis. Intramolecular C-H?O and C-H?N hydrogen bonds are also present.

SUBMITTER: Lu WC

PROVIDER: S-EPMC2962164 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-[2-(4-Chloro-phen-yl)propano-yl]-1-methyl-bornane-10,2-sultam.

Lu Wen-Chang WC Yu Guang-Ao GA Cao Xiu-Fang XF Jin Shan S Liu Sheng-Hua SH

Acta crystallographica. Section E, Structure reports online 20080719 Pt 8

In the mol-ecular structure of the title compound, C(20)H(26)ClNO(3)S, the six-membered ring of the bornane unit shows a boat conformation, while the five-membered ring of the sultam unit adopts a twist conformation. In the crystal structure, mol-ecules are connected by inter-molecular C-H⋯O hydrogen bonds into a chain running along the b axis. Intramolecular C-H⋯O and C-H⋯N hydrogen bonds are also present. ...[more]

PMID: 21203244

Similar Datasets

(+)-N-[2-(4-Chloro-phen-yl)propano-yl]bornane-10,2-sultam.

Project description:In the mol-ecular structure of the title compound, C(19)H(24)ClNO(3)S, the six-membered ring of the bornane unit shows a boat form, while the five-membered ring of the sultam unit adopts a twist form. Intra-molecular C-H⋯N and C-H⋯O inter-actions are observed. In the crystal structure, mol-ecules are connected by inter-molecular C-H⋯O hydrogen bonds into a chain running along the b axis. The crystal was a partial inversion twin with a twin ratio of 0.73 (1):0.27 (1).

| S-EPMC2960315 | biostudies-literature

Methyl 2-[4-(4-chloro-benzo-yl)phen-oxy]-2-methyl-propano-ate.

Project description:In the title compound, C(18)H(17)ClO(4), the dihedral angle between the mean planes of the benzene rings is 53.4?(1)°. Weak inter-molecular C-H?O inter-actions are observed.

| S-EPMC3379272 | biostudies-literature

N'-[(E)-1-(4-Chloro-phen-yl)ethyl-idene]-2-[4-(2-methyl-prop-yl)phen-yl]propano-hydrazide.

Project description:The asymmetric unit of the title compound, C(21)H(25)ClN(2)O, contains four crystallographically independent mol-ecules, which differ mainly in the orientation of the isobutyl groups. The benzene rings are almost orthogonal to each other, forming dihedral angles of 87.40 (6), 88.69 (6), 84.88 (6) and 85.12 (6)° in the four mol-ecules. The crystal structure is stabilized by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds, together with C-H⋯π inter-actions.

| S-EPMC2967938 | biostudies-literature

Ethyl 2-[4-(4-chloro-benzo-yl)phen-oxy]-2-methyl-propano-ate.

Project description:In the title compound, C(19)H(19)ClO(4), the dihedral angle between the mean planes of the benzene rings is 126.8?(1)°. Weak C-H?O inter-actions are observed.

| S-EPMC3379337 | biostudies-literature

N-(2-Chloro-phen-yl)-1-(4-chloro-phen-yl)formamido 3-(2-nitrophenyl)-propano-ate.

Project description:In the title hydroxamic acid derivative, C22H16Cl2N2O5, the nitro-substituted benzene ring forms dihedral angles of 26.95 (15) and 87.06 (15)°, with the 4-chloro- and 2-chloro-substituted benzene rings, respectively. The dihedral angle between the chloro-substituted benzene rings is 68.19 (13)°. The O atoms of the nitro group were refined as disordered over two sets of sites with equal occupancies. In the crystal, weak C-H⋯O(=C) hydrogen bonds link mol-ecules along [100].

| S-EPMC3589069 | biostudies-literature

N-(2-Chloro-phen-yl)-1-phenyl-formamido 3-(2-nitro-phen-yl)propano-ate.

Project description:In the title mol-ecule, C(22)H(17)ClN(2)O(5), the nitro-substituted benzene ring makes a dihedral angle of 79.22?(1)° with the benzoyl ring and 53.03?(1)° with the chloro-substituted benzene ring. An intra-molecular C-H?O hydrogen bond occurs. The crystal structure features weak C-H?Cl and C-H?O inter-actions.

| S-EPMC3470253 | biostudies-literature

2-(4-Chloro-phen-yl)-6-methyl-4-(3-methyl-phen-yl)quinoline.

Project description:In the title compound, C(23)H(18)ClN, the dihedral angles between the quinoline unit and the chloro-benzene and methyl-benzene rings are 2.57?(9) and 56.06?(9)°, respectively. The crystal structure is stabilized by ?-? inter-actions [minimum ring centroid separation = 3.733?(2)?Å].

| S-EPMC3515327 | biostudies-literature

N'-[(E)-(Furan-2-yl)methyl-idene]-2-[4-(2-methyl-prop-yl)phen-yl]propano-hydrazide.

Project description:In the title mol-ecule, C18H22N2O2, the furan and benzene rings form a dihedral angle of 70.17 (14)°. In the crystal, strong N-H⋯O and weak C-H⋯O hydrogen bonds link the mol-ecules into chains running parallel to [010].

| S-EPMC3998455 | biostudies-literature

N-(2-Chloro-phen-yl)-N'-(2-methyl-phen-yl)succinamide.

Project description:In the title compound, C(17)H(17)ClN(2)O(2), the asymmetric unit contains half a mol-ecule with a centre of symmetry at the mid-point of the central C-C bond. The conformations of the amide O atoms are anti to the methyl-ene atoms. Further, the N-H bonds in the amide fragments are anti to the ortho-chloro/methyl groups in the adjacent benzene rings. The dihedral angle between the benzene ring and the NH-C(O)-CH(2) segment in the two halves of the mol-ecule is 62.0?(2)°. In the crystal, a series of N-H?O inter-molecular hydrogen bonds link the mol-ecules into column-like infinite chains along the a axis. The methyl and Cl groups are disordered with respect to the ortho positions of the benzene ring, with site-occupation factors of 0.5 each.

| S-EPMC3201445 | biostudies-literature

N-(3-Chloro-phen-yl)-N'-(3-methyl-phen-yl)succinamide.

Project description:The asymmetric unit of the title compound, C(17)H(17)ClN(2)O(2), contains one half-mol-ecule with a center of inversion at the mid-point of the central C-C bond. The amide N-H group is anti to the meta-chloro/methyl groups in the adjacent benzene rings. The dihedral angle between the benzene ring and the NH-C(O)-CH(2) segment is 43.5?(1)°. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains along the a axis. The methyl group and the Cl atom occupy the same position and were treated in a disorder model with site-occupation factors of 0.5 each.

| S-EPMC3213520 | 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