Browse
Submit Data
Databases
API
Help

Dataset Information

28 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of 2-benzamido-N-(2,2-di-eth-oxy-eth-yl)benzamide.

ABSTRACT: In the title compound, C20H24N2O4, both peptide bonds adopt a trans configuration with respect to the -N-H and -C=O groups. The dihedral angle between the aromatic rings is 53.58?(4)°. The mol-ecular conformation is stabilized by an intra-molecular N-H?O hydrogen bond. The crystal packing is characterized by zigzag chains of N-H?O hydrogen-bonded mol-ecules running along the b-axis direction.

SUBMITTER: Ouahrouch A

PROVIDER: S-EPMC4350703 | biostudies-literature | 2015 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of 2-benzamido-N-(2,2-di-eth-oxy-eth-yl)benzamide.

Ouahrouch Abdelaaziz A Taourirte Moha M Lazrek Hassan B HB Engels Joachim W JW Bolte Michael M

Acta crystallographica. Section E, Crystallographic communications 20150228 Pt 3

In the title compound, C20H24N2O4, both peptide bonds adopt a trans configuration with respect to the -N-H and -C=O groups. The dihedral angle between the aromatic rings is 53.58 (4)°. The mol-ecular conformation is stabilized by an intra-molecular N-H⋯O hydrogen bond. The crystal packing is characterized by zigzag chains of N-H⋯O hydrogen-bonded mol-ecules running along the b-axis direction. ...[more]

PMID: 25844255

Similar Datasets

Crystal structure of <i>N</i>-(di-phenyl-phosphor-yl)-2-meth-oxy-benzamide.

Project description:In the title compound, C20H18NO3P, the C=O and P=O groups of the carbacyl-amido-phosphate (CAPh) fragments are located in a synclinal position relative to each other and are pre-organized for bidentate chelate coordination of metal ions. The N-H group is involved in the formation of an intra-molecular hydrogen bond. In the crystal, mol-ecules do not form strong inter-molecular inter-actions but the mol-ecules are linked via weak C-H⋯π inter-actions, forming chains along [001].

| S-EPMC6659338 | biostudies-literature

Crystal structure of ethyl 2-(di-eth-oxy-phosphor-yl)-2-(2,3,4-tri-meth-oxy-phen-yl)acetate.

Project description:The title compound, C17H27O8P, was prepared by Michaelis-Arbuzov reaction of ethyl 2-bromo-2-(2,3,4-tri-meth-oxy-phen-yl)acetate and triethyl phosphite. Such compounds rarely crystallize, but single crystals were recovered after the initial oil was left for approximately 10 years. The bond angle of the sp (3)-hybridized C atom connecting the benzene derivative with the phospho unit is widened marginally [112.5 (2)°]. The terminal P-O bond length of 1.464 (2) Å clearly indicates a double bond, whereas the two O atoms of the eth-oxy groups connected to the phospho-rous atom have bond lengths of 1.580 (2) Å and 1.581 (3) Å. The three meth-oxy groups emerge out of the benzene-ring plane due to steric hindrance [C-C-O-C torsion angles = -179.9 (3)°, -52.9 (4)° and 115.3 (4)°]. In the crystal, inversion dimers linked by pairs of C-H⋯O=P hydrogen bonds generate R 2 (2)(14) loops. The chosen crystal was modelled as a non-merohedral twin.

| S-EPMC4186086 | biostudies-literature

Crystal structure of N-{4-[(6-chloro-pyridin-3-yl)meth-oxy]phen-yl}-2,6-di-fluoro-benzamide.

Project description:In the title compound, C19H13ClF2N2O2, the conformation of the N-H bond in the amide segment is anti to the C=O bond. The mol-ecule is not planar, with dihedral angles between the central benzene ring and the outer benzene and pyridyl rings of 73.35?(7) and 81.26?(6)°, respectively. A weak intra-molecular C-H?O hydrogen bond occurs. In the crystal, N-H?N, C-H?O and C-H?F hydrogen bonds lead to the formation of dimers. The N-H?N inversion dimers are linked by ?-? contacts between adjacent pyridine rings [centroid-centroid = 3.8541?(12)?Å] and C-H?? inter-actions. These contacts combine to stack the mol-ecules along the a axis.

| S-EPMC4704742 | biostudies-literature

Crystal structure of 4-eth-oxy-N-(4-eth-oxy-phen-yl)-N-phenyl-aniline.

Project description:In the title compound, C22H23NO2, the planes of the eth-oxy-benzene rings are oriented with respect to that of the phenyl ring at dihedral angles of 61.77 (8) and 84.77 (8)°, and they are twisted with respect to one another, with a dihedral angle of 80.37 (7)°. In the crystal, weak C-H⋯π inter-actions link the mol-ecules into supra-molecular chains propagating along [101].

| S-EPMC4186099 | biostudies-literature

3,3'-{[(Biphenyl-2,2'-di-yl)bis-(methyl-ene)]bis-(-oxy)}bis-[N-(4-chloro-phen-yl)benzamide].

Project description:In the title compound, C40H30Cl2N2O4, the two benzene rings of the biphenyl unit are twisted with respect to each other, making a dihedral angle of 73.07 (4)°. The benzene rings of the benzamide groups form dihedral angles of 77.09 (5) and 55.48 (6)° with the central biphenyl moiety. In the crystal, mol-ecules are linked through N-H⋯O hydrogen bonds to form a fused R 2 (2)(38) ring motif which forms a supermolecular ribbon network extending along the [100] plane. In the two 4-chloro-phenyl rings, the five C atoms and their attached H atoms are disordered over two sets of sites, with site-occupancy factors of 0.657 (15):0.343 (15) and 0.509 (13):0.491 (13).

| S-EPMC3685066 | biostudies-literature

Crystal structure of 4-methyl-N-[2-(piperidin-1-yl)eth-yl]benzamide monohydrate.

Project description:In the title compound, C15H22N2O·H2O, the dihedral angle between the planes of the piperidine and benzene rings is 31.63?(1)°. The piperidine ring adopts a chair conformation. The water solvent mol-ecule is involved in inter-species O-H?O, O-H?N, N-H?O and weak C-H?O hydrogen-bonding inter-actions, giving rise to chains extending along [010].

| S-EPMC4420061 | biostudies-literature

Crystal structure of 4-chloro-N-[2-(piperidin-1-yl)eth-yl]benzamide monohydrate.

Project description:In the title compound, C14H19ClN2O2·H2O, the piperdine ring adopts a chair conformation. The dihedral angle between the mean plane of the piperidine ring and that of the phenyl ring is 41.64 (1)°. In the crystal, mol-ecules are linked by O-H⋯N, N-H⋯O and C-H⋯O hydrogen bonds involving the water mol-ecule, forming double-stranded chains propagating along [010].

| S-EPMC4331843 | biostudies-literature

2,4-Di-chloro-N-[eth-yl(2-hy-droxy-eth-yl)carbamo-thio-yl]benzamide.

Project description:In the title compound, C12H14Cl2N2O2S, the mol-ecule adopts a cis conformation with respect to the di-chloro-benzoyl group against the thiono group about the C-N bond. However, the di-chloro-benzene group and the thio-urea moiety are twisted by 75.41?(8)°. An intra-molecular N-H?O hydrogen bond occurs between the amido H atom and hydroxyl O atom. In the crystal, O-H?S and O-H?O hydrogen bonds link the molecules, forming chains along the b-axis direction.

| S-EPMC3914078 | biostudies-literature

2,2'-Dihydroxy-N,N'-(ethane-1,2-di-yl)di-benzamide.

Project description:The asymmetric unit of the title compound, C(16)H(16)N(2)O(4), contains one half-mol-ecule, the whole mol-ecule being generated by an inversion center located at the mid-point of the C-C bond of the central ethane group. An intra-molecular O-H⋯O hydrogen bond forms an S(6) ring motif. In the crystal, mol-ecules are connected via N-H⋯O hydrogen bonds, generating infinite chains along [1-10].

| S-EPMC3569262 | biostudies-literature

Crystal structure of 4-(3,4-di-cyano-phen-oxy)-N-[3-(di-methyl-amino)-prop-yl]benzamide mono-hydrate: a phen-oxy-phthalo-nitrile derivative.

Project description:In the title compound, C20H20N4O2·H2O, the planes of the phen-oxy and phthalo-nitrile rings are oriented at a dihedral angle of 60.39 (5)°. The 3-(di--methyl-amino)-propyl chain has an extended conformation and is cis with respect to the phthalo-nitrile ring. In the crystal, O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds link the mol-ecules to form slabs parallel to (100). There are also C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π inter-actions present within the slabs. The slabs are linked by a pair of inversion-related C-H⋯N hydrogen bonds, involving phthalo-nitrile rings, forming a three-dimensional structure.

| S-EPMC4555371 | 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