Browse
Submit Data
Databases
API
Help

Dataset Information

4 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(4-Chloro-phen-yl)pyrrolidine-1-carboxamide.

ABSTRACT: In the title mol-ecule, C(11)H(13)ClN(2)O, the five-membered ring has an envelope conformation. In the crystal, mol-ecules are linked into chains along [100] by inter-molecular N-H?O hydrogen bonds.

SUBMITTER: Li YF

PROVIDER: S-EPMC3151799 | biostudies-other | 2011 Jul

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

N-(4-Chloro-phen-yl)pyrrolidine-1-carboxamide.

Li Yu-Feng YF

Acta crystallographica. Section E, Structure reports online 20110625 Pt 7

In the title mol-ecule, C(11)H(13)ClN(2)O, the five-membered ring has an envelope conformation. In the crystal, mol-ecules are linked into chains along [100] by inter-molecular N-H⋯O hydrogen bonds. ...[more]

PMID: 21837165

Similar Datasets

N-(2,3,4-Trifluoro-phen-yl)pyrrolidine-1-carboxamide.

Project description:In the title compound, C(11)H(11)F(3)N(2)O, a urea derivative, the best plane through the pyrrole ring makes a dihedral angle of 9.69?(13)° with the benzene ring. The amino H atom is shielded, so that it is not involved in any hydrogen-bonding inter-actions.

| S-EPMC3254353 | biostudies-literature

N-(4-Chloro-phen-yl)morpholine-4-carboxamide.

Project description:In the title mol-ecule, C(11)H(13)ClN(2)O(2), the morpholine ring has a chair conformation. In the crystal, mol-ecules are linked into chains along [100] by N-H?O hydrogen bonds.

| S-EPMC3200746 | biostudies-literature

(2R)-N-(2-Benzoyl-phen-yl)-1-benzyl-pyrrolidine-2-carboxamide.

Project description:In the title compound, C(25)H(24)N(2)O(2), the dihedral angle between the two benzene rings of the benzophenone moiety is 59.10?(6)°. An intra-molecular, bifurcated N-H?(O,N) hydrogen bond, which generates S(6) and S(5) rings, respectively, helps to establish the overall conformation of the mol-ecule.

| S-EPMC3200612 | biostudies-literature

N-(4-Chloro-phen-yl)-4-(pyrimidin-2-yl)piperazine-1-carboxamide.

Project description:The title compound, C(15)H(16)ClN(5)O, contains two mol-ecules, A and B, in the asymmetric unit, in which the dihedral angles between the terminal aromatic rings are 42.41?(17) and 45.77?(18)°. The central six-membered ring in both mol-ecules has a chair conformation with equatorial substituents. In the crystal, mol-ecules are linked into [100] C(4) chains of alternating A and B mol-ecules by N-H?O hydrogen bonds.

| S-EPMC3201268 | biostudies-literature

N-(4-Chloro-phen-yl)-4-methyl-piperidine-1-carboxamide.

Project description:In the title compound, C(13)H(17)ClN(2)O, the piperidine ring adopts a chair conformation and the N atom in that ring is close to pyramidal (bond angle sum = 357.5°). In the crystal, mol-ecules are linked into C(4) chains propagating in [010] by N-H?O hydrogen bonds.

| S-EPMC3152019 | biostudies-literature

N-(4-Chloro-phen-yl)-4-ethyl-piperazine-1-carboxamide.

Project description:In the title mol-ecule, C(13)H(18)ClN(3)O, the piperazine ring has a chair conformation. In the crystal, mol-ecules are linked into chains along [100] by N-H?O hydrogen bonds.

| S-EPMC3201470 | biostudies-literature

3-(3-Chloro-phen-yl)-N-phenyl-oxirane-2-carboxamide.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(15)H(12)ClN(2)O(2). In each mol-ecule, the two benzene rings adopt a cis configuration with respect to the ep-oxy ring. The dihedral angles between the ep-oxy ring and chloro-phenyl rings are essentially identical in the two mol-ecules [62.50 (9) and 62.67 (9)°]. Inter-molecualar N-H⋯O and C-H⋯O hydrogen bonding is present in the crystal structure.

| S-EPMC2971953 | biostudies-literature

Bis[N-(4-chloro-phen-yl)pyridine-3-carboxamide]-silver(I) nitrate.

Project description:In the title compound, [Ag(C(12)H(9)ClN(2)O)(2)]NO(3), two N atoms from two pyridine rings of two N-(4-chloro-phen-yl)pyridine-3-carboxamide ligands coordinate to the Ag(I) atom, forming a nearly linear geometry with an N-Ag-N angle of 173.41?(7)°. The crystal structure is stabilized by N-H?O, C-H?O and C-H?Cl hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distance = 3.5469?(16)?Å] between the pyridyl and benzene rings. The shortest Ag?Ag distance is 3.2574?(5)?Å.

| S-EPMC3007344 | biostudies-literature

N-(4-Chloro-2-nitro-phen-yl)-5-methyl-isoxazole-4-carboxamide.

Project description:In the title compound, C(11)H(8)ClN(3)O(4), the dihedral angle between benzene and isoxazole rings is 9.92 (1) °. The nitro group is almost coplanar with the benzene ring with an O-N-C-C torsion angle of 8.4 (3)°. The mol-ecular conformation is stabilized by an intra-molecular N-H⋯O hydrogen bond, closing a six-membered ring.

| S-EPMC3238979 | biostudies-literature

4-{[5-(4-Chloro-phen-yl)-1-(4-fluoro-phen-yl)-1H-pyrazol-3-yl]carbon-yl}-N-(4-cyano-phen-yl)piperazine-1-carboxamide.

Project description:In the title compound, C(28)H(22)ClFN(6)O(2), the piperazine ring adopts a chair conformation and the least-squares plane through the four coplanar atoms forms dihedral angles of 69.37?(13) and 56.56?(12)°, respectively, with the pyrazole and cyano-phenyl rings. The dihedral angles formed between the pyrazole and the attached fluoro- and chloro-phenyl rings are 34.16?(10) and 73.27?(12)°, respectively. In the crystal, inter-molecular N-H?O, C-H?N and C-H?O hydrogen bonds link the mol-ecules into sheets parallel to the ac plane.

| S-EPMC2983346 | 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