Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-[(1-Benzoyl-piperidin-4-yl)meth-yl]benzamide.

ABSTRACT: In the title compound, C20H22N2O2, the piperidine ring adopts a chair conformation. The phenyl rings are inclined to one another by 80.1?(1)° and make dihedral angles of 46.1?(1) and 40.2?(1)° with the mean plane of the piperidine ring. In the crystal, pairs of N-H?O hydrogen bonds link the mol-ecules into inversion dimers. C-H?O inter-actions further link the mol-ecules, forming a three-dimensional supramolecular network.

SUBMITTER: Prathebha K

PROVIDER: S-EPMC4120622 | biostudies-literature | 2014 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-[(1-Benzoyl-piperidin-4-yl)meth-yl]benzamide.

Prathebha K K Reuben Jonathan D D Shanmugam Sathya S Usha G G

Acta crystallographica. Section E, Structure reports online 20140614 Pt 7

In the title compound, C20H22N2O2, the piperidine ring adopts a chair conformation. The phenyl rings are inclined to one another by 80.1 (1)° and make dihedral angles of 46.1 (1) and 40.2 (1)° with the mean plane of the piperidine ring. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into inversion dimers. C-H⋯O inter-actions further link the mol-ecules, forming a three-dimensional supramolecular network. ...[more]

PMID: 25161560

Similar Datasets

Crystal structure of 4-methyl-N-{[1-(4-methyl-benzo-yl)piperidin-4-yl]meth-yl}benzamide.

Project description:In the title compound, C22H27N2O2, the piperidine ring adopts a half-chair conformation with the benzene rings inclined in a trans orientation with respect to the piperidine ring [dihedral angle between the benzene rings = 89.1 (1)°]. In the crystal, a three-centre asymmetric N-H⋯O/C-H⋯O hydrogen-bonding inter-action leads to the formation of chains extending along the a-axis direction.

| S-EPMC4257237 | biostudies-literature

Crystal structure of 4-chloro-N-{[1-(4-chloro-benzo-yl)piperidin-4-yl]meth-yl}benzamide monohydrate.

Project description:In the title compound, C20H20Cl2N2O2·H2O, the piperidine ring adopts a chair conformation with the two substituent benzene rings inclined to one another [dihedral angle 84.63?(9)°]. In the crystal, the components are linked by Ow-H?O, N-H?Ow (w = water) and C-H?O hydrogen bonds, generating a sheet structure lying parallel to (101).

| S-EPMC4257193 | biostudies-literature

N-(Cyano-meth-yl)benzamide.

Project description:In the structure of the title compound, C(9)H(8)N(2)O, the amide group is twisted by a dihedral angle of 21.86 (7)° with respect to the benzene ring, while the planes of the benzene ring and cyano-methyl group form a dihedral angle of 53.13 (11)°. In the crystal structure, mol-ecules are linked via N-H⋯O hydrogen bonds, forming a chain running parallel to the a axis.

| S-EPMC2983510 | biostudies-literature

4-{[4-(Hy-droxy-meth-yl)piperidin-1-yl]meth-yl}phenol.

Project description:In the title compound, C(13)H(19)NO(2), the piperidine ring has a chair conformation with the exocyclic N-C bond in an equatorial position. In the crystal, mol-ecules are linked head-to-tail by phenol O-H⋯O hydrogen bonds to hy-droxy-methyl-ene O-atom acceptors, forming chains which extend along [100]. These chains form two-dimensional networks lying parallel to (101) through cyclic hydrogen-bonding associations [graph set R(4) (4)(30)], involving hy-droxy O-H donors and piperidine N-atom acceptors.

| S-EPMC3394056 | biostudies-literature

N-Benzoyl-N-(1,4-dioxonaphthalen-2-yl)benzamide.

Project description:The title mol-ecule, C(24)H(15)NO(4), crystallizes with two mol-ecules in the asymmetric unit (Z' = 2). For both mol-ecules, the two amide groups are not coplanar, as the dihedral angles of the respective NCO groups are similar at 50.37?(14) and 51.22?(13)°. However, the orientations of the substituent phenyl rings with the central naphthalene system are significantly different for the two mol-ecules; for one mol-ecule, these dihedral angles are 80.29?(3) and 80.95?(4)°, while for the second mol-ecule they are 86.63?(3) and 72.82?(4)°. The crystal packing shows the mol-ecules to be linked by weak C-H?O inter-actions.

| S-EPMC3414307 | biostudies-literature

N-[(Methyl-sulfan-yl)meth-yl]benzamide.

Project description:In the title compound, C(9)H(11)NOS, the phenyl ring and formamide unit make a dihedral angle of 23.93?(14)°, whereas the (methyl-sulfan-yl)methyl group is oriented at a dihedral angle of 61.31?(8)° with respect to the phenyl ring. There are inter-molecular N-H?O hydrogen bonds, forming C(4) chains along the [010] direction. These polymeric chains are linked by C-H?O hydrogen bonds to form polymeric sheets in the (110) plane.

| S-EPMC3295445 | biostudies-literature

N-[Morpholino(phen-yl)meth-yl]benzamide.

Project description:The title compound, C(18)H(20)N(2)O(2), crystallizes with two mol-ecules in the asymmetric unit. The morpholine rings of both mol-ecules adopt chair conformations. The crystal structure is stabilized by inter-molecular N-H?O hydrogen bonds. One phenyl ring is disordered over two orientations in a 0.665?(5):0.335?(5) ratio.

| S-EPMC2968586 | biostudies-literature

1-{3-[(4-Oxopiperidin-1-yl)carbon-yl]benzoyl}piperidin-4-one.

Project description:Two independent mol-ecules comprise the asymmetric unit in the title compound, C(18)H(20)N(2)O(4). One of the mol-ecules exhibits disorder in one of its 4-piperidone rings, which is disposed over two orientations [site occupancy of the major component = 0.651?(5)]. The first independent mol-ecule and the minor component of the second disordered mol-ecule are virtually superimposable. The central four C atoms in the major component of the disordered mol-ecule have an opposite orientation. All the 4-piperidone rings have a chair conformation. The carbonyl groups in each mol-ecule have approximate anti conformations [O=C?C=O = 146.2?(2) and -159.9?(2)°]. The 4-piperidone rings lie to opposite sides of the central benzene ring in both mol-ecules. In the crystal, mol-ecules are linked by C-H?O inter-actions. The crystal studied was found to be a non-merohedral twin (twin law -1 0 0, 0 1 0, 0 - 1/2 - 1), the fractional contribution of the minor component being approximately 11%.

| S-EPMC3007266 | biostudies-literature

Diisopropyl [(benzoyl-amino)-(phen-yl)meth-yl]phospho-nate.

Project description:The title compound, C(20)H(26)NO(4)P, has been obtained by the reaction of benzoyl chloride and diisoprop-yl[amino-(phen-yl)meth-yl]phospho-nate. The dihedral angle between the planes of the benzoyl-amino group and the phenyl ring is 77.0?(2)°. The crystal structure is stabilized by strong inter-molecular N-H?O hydrogen bonds between the doubly bonded phosphoryl O atom and the amide N atom which link the mol-ecules into pairs about a center of symmetry.

| S-EPMC2968692 | biostudies-literature

Crystal structures of 3-fluoro-N-[2-(tri-fluoro-meth-yl)phen-yl]benzamide, 3-bromo-N-[2-(tri-fluoro-meth-yl)phen-yl]benzamide and 3-iodo-N-[2-(tri-fluoro-meth-yl)phen-yl]benzamide.

Project description:In the title compounds, C14H9F4NO, (I), C14H9BrF3NO, (II), and C14H9F3INO, (III), the two benzene rings are inclined to one another by 43.94?(8)° in mol-ecule A and 55.66?(7)° in mol-ecule B of compound (I), which crystallizes with two independent mol-ecules in the asymmetric unit, but by only 10.40?(12)° in compound (II) and 12.5?(2)° in compound (III). In the crystals of all three compounds, N-H?O hydrogen bonds link the mol-ecules to form chains propagating along the a-axis direction for (I), and along the b-axis direction for (II) and (III). In the crystal of (I), -A-B-A-B- chains are linked by C-H?O hydrogen bonds, forming layers parallel to (010). Within the layers there are weak offset ?-? inter-actions present [inter-centroid distances = 3.868?(1) and 3.855?(1)?Å]. In the crystals of (II) and (III), the chains are linked via short halogen-halogen contacts [Br?Br = 3.6141?(4)?Å in (II) and I?I = 3.7797?(5)?Å in (III)], resulting in the formation of ribbons propagating along the b-axis direction.

| S-EPMC4908555 | 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