Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Methyl 4-(piperidin-1-ylcarbon-yl)benzoate.

ABSTRACT: In the title compound, C(14)H(17)NO(3), the piperidine ring has a chair conformation and an intra-molecular C-H?O inter-action stabilizes the mol-ecular conformation. In the crystal, weak inter-molecular C-H?O inter-actions occur.

SUBMITTER: Avila RM

PROVIDER: S-EPMC3007036 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Methyl 4-(piperidin-1-ylcarbon-yl)benzoate.

Avila R M D RM Landre I M R IM Souza T E TE Veloso M P MP Doriguetto A C AC

Acta crystallographica. Section E, Structure reports online 20100616 Pt 7

In the title compound, C(14)H(17)NO(3), the piperidine ring has a chair conformation and an intra-molecular C-H⋯O inter-action stabilizes the mol-ecular conformation. In the crystal, weak inter-molecular C-H⋯O inter-actions occur. ...[more]

PMID: 21587861

Similar Datasets

1,4-Bis(piperidin-1-ylcarbon-yl)benzene.

Project description:The title compound, C(18)H(20)N(2)O(2), has been synthesized by the reaction of terephthaloyl chloride and 1,2,3,6-tetra-hydro-pyridine. This compound crystallizes as discrete mol-ecular species disposed about a crystallographic centre of symmetry, such that half the mol-ecule constitutes the asymmetric unit. The structure shows an envelope conformation for the dehydro-piperidine ring with the amide carbonyl twisted out of the benzene ring plane by 57.3 (2)°.

| S-EPMC2914991 | biostudies-literature

4-(2-Methyl-piperidin-1-ylcarbon-yl)pyridinium hexachloridoantimonate(V).

Project description:In the hexa-chlorido-animonate anion of the title compound, (C(12)H(17)N(2)O)[SbCl(6)], the Sb(5+)ion is in a slightly distorted octa-hedral coordination. In the 4-(2-methyl-piperidine-1-carbon-yl) pyridinium cation, the dihedral angle between the mean planes of the pyridine and piperzine rings is 66.3?(3)°. The mean plane of the carbonyl group is twisted by 80.5?(7)° and 42.7?(4)° relative to the mean planes of the pyridine and piperzine rings, respectively. The methyl group is in an R configuration relative to the piperidine ring which is in a slightly distorted chair conformation. The crystal packing is stabilized by N-H?O hydrogen bonds between cations, which form infinite zigzag chains parallel to [010].

| S-EPMC2970264 | biostudies-other

[(4E)-1-Methyl-2,6-diphenyl-3-(propan-2-yl)piperidin-4-yl-idene]amino 3-methyl-benzoate.

Project description:In the title compound, C29H32N2O2, the piperidine ring exists in a chair conformation (the bond-angle sum at the sp (2)-hybridized C atom is 359.79°). The phenyl rings and the methyl group substituted on the heterocyclic ring are in equatorial orientations. In the crystal, pairs of C-H?? inter-actions result in the formation of inversion dimers.

| S-EPMC3793771 | biostudies-literature

[(4E)-3-Ethyl-1-methyl-2,6-di-phenyl-piperidin-4-yl-idene]amino 3-methyl-benzoate.

Project description:In the title compound, C28H30N2O2, the piperidine ring exists in a chair conformation with an equatorial orientation of the phenyl rings and methyl group substituted on the heterocycle. In the crystal, C-H?? inter-actions result in chains of mol-ecules running parallel to the a-axis direction.

| S-EPMC3790411 | biostudies-literature

Methyl 5-meth-oxy-2-nitro-4-[3-(piperidin-1-yl)prop-oxy]benzoate.

Project description:In the mol-ecule of the title compound, C(17)H(24)N(2)O(6), the dihedral angle between the four coplanar atoms of the piperidine ring and the benzene ring is 39.2?(1)°.

| S-EPMC2968430 | biostudies-literature

Methyl 2-[(methyl-sulfon-yl)(prop-yl)amino]benzoate.

Project description:The asymmetric unit of the title compound, C(12)H(17)NO(4)S, contains two mol-ecules, both of which show disorder of the two terminal C atoms of the propyl chain over two sets of sites with an occupancy ratio of 0.581?(6):0.419?(6). Intra-molecular C-H?O inter-actions help to establish the mol-ecular conformations: in one mol-ecule, the dihedral angle between the methyl ester group and the benzene ring is 41.0?(2)°, whereas in the other mol-ecule it is 36.12?(17)°. In the crystal, mol-ecules are linked by inter-molecular C-H?O and C-H?? inter-actions.

| S-EPMC2980136 | biostudies-literature

(4-Methyl-phen-yl)[2-(thio-phen-2-ylcarbon-yl)phen-yl]methanone.

Project description:The crystal studied of the title compound, C(19)H(14)O(2)S, was an inversion twin with a 0.7 (1):0.3 (1) domain ratio. The central benzene ring makes dihedral angles of 63.31 (9) and 60.86 (9)°, respectively, with the 4-methyl-phenyl and thio-phene rings. In the crystal, mol-ecules are linked by weak inter-molecular C-H⋯O hydrogen bonds and S⋯π [3.609 (3) Å] inter-actions.

| S-EPMC3200848 | biostudies-literature

Methyl 4-{[(4-methyl-phen-yl)sulfon-yl]amino}-benzoate.

Project description:In the mol-ecule of the title compound, C(15)H(15)NO(4)S, the dihedral angle between the two rings is 88.05?(7)°. The methyl ester group is nearly coplanar with the adjacent ring [dihedral angle = 2.81?(10)°], whereas it is oriented at 86.90?(9)° with respect to the plane of the ring attached to the -SO(2)- group. Weak intra-molecular C-H?O hydrogen bonding completes S(5) and S(6) ring motifs. The mol-ecules form one-dimensional polymeric C(8) chains along the [010] direction due to N-H?O hydrogen bonding and these chains are linked by C-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3295455 | biostudies-literature

Methyl 4-[(pyrimidin-2-yl)carbamo-yl]benzoate.

Project description:Mol-ecules of the title compound, C(13)H(11)N(3)O(3), are connected into centrosymmetric dimers via inter-molecular N-H⋯N hydrogen bonds, generating an R(2) (2)(8) motif. The pyrimidine and the phenyl rings are twisted with respect to each other by an inter-planar angle of 61.3 (1)°.

| S-EPMC3151977 | biostudies-literature

Methyl 5-bromo-2-[meth-yl(methyl-sulfon-yl)amino]benzoate.

Project description:The title compound, C(10)H(12)BrNO(4)S, is an inter-mediate in the synthesis of benzothia-zine. The planar methyl ester group (maximum deviation is 0.0065 Å) is oriented at a dihedral angle of 39.09 (13)° with respect to the aromatic ring. In the crystal structure, weak inter-molecular C-H⋯O inter-actions link the mol-ecules into centrosymmetric dimers, through R(2) (2)(10) ring motifs.

| S-EPMC2977655 | 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