Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,3-Diethyl-1,3-diphenyl-urea.

ABSTRACT: The mol-ecule of the title compound, C(17)H(20)N(2)O, a symmetrical derivative of urea, shows non-crystallographic C(2) symmetry. Inter-action with the aromatic system of the phenyl substituents as well as amide-type resonance is responsible for the marked planarization of the coordination environments of the N atoms. C-H?O contacts give rise to the formation of centrosymmetric dimers in the crystal structure. The closest distance between the centroids of two adjacent rings is 3.8938?(11)?Å.

SUBMITTER: Betz R

PROVIDER: S-EPMC3100078 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,3-Diethyl-1,3-diphenyl-urea.

Betz Richard R Gerber Thomas T Schalekamp Henk H

Acta crystallographica. Section E, Structure reports online 20110309 Pt 4

The mol-ecule of the title compound, C(17)H(20)N(2)O, a symmetrical derivative of urea, shows non-crystallographic C(2) symmetry. Inter-action with the aromatic system of the phenyl substituents as well as amide-type resonance is responsible for the marked planarization of the coordination environments of the N atoms. C-H⋯O contacts give rise to the formation of centrosymmetric dimers in the crystal structure. The closest distance between the centroids of two adjacent rings is 3.8938 (11) Å. ...[more]

PMID: 21754111

Similar Datasets

Diethyl [benzyl-amino-(1,3-diphenyl-1H-pyrazol-4--yl)meth-yl]phospho-nate.

Project description:In the title compound, C(27)H(30)N(3)O(3)P, the pyrazole ring is essentially planar [maximum deviation = 0.002 (2) Å] and it forms dihedral angles of 9.3 (1) and 40.2 (1)°, respectively, with the phenyl rings attached to the N and C atoms. In the crystal, pairs of centrosymmetrically related mol-ecules are linked into dimers by N-H⋯O hydrogen bonds.

| S-EPMC3200952 | biostudies-literature

Diethyl [(2-chloro-anilino)(1,3-diphenyl-1H-pyrazol-4-yl)meth-yl]phospho-nate.

Project description:In the title compound, C(26)H(27)ClN(3)O(3)P, the mean plane of the central pyrazole ring forms a dihedral angle of 71.37?(14)° with the chloro-phenyl ring. In the crystal, mol-ecules are linked by pairs of N-H?O hydrogen bonds, forming inversion dimers with R(2) (2)(10) ring motifs. The 3-phenyl ring is disordered with four C atoms occupying two sets of sites with an occupancy ratio of 0.748?(4):0.252?(4).

| S-EPMC3569244 | biostudies-literature

Diethyl [(2-bromo-anilino)(1,3-diphenyl-1H-pyrazol-4-yl)meth-yl]phospho-nate.

Project description:In the title compound, C(26)H(27)BrN(3)O(3)P, the central pyrazole ring forms a dihedral angle of 71.7?(2)° with the bromo-phenyl ring. In the crystal, mol-ecules are linked by pairs of N-H?O hydrogen bonds, forming inversion dimers with R(2) (2)(10) ring motifs. Four C atoms of the 3-phenyl ring are disordered over two sets of sites [site occupancies = 0.745?(6) and 0.225?(6)].

| S-EPMC3344653 | biostudies-literature

Synthesis, Characterization and Antibacterial Activity of Novel 1,3-Diethyl-1,3-bis(4-nitrophenyl)urea and Its Metal(II) Complexes.

Project description:A bioactive ligand and its dinuclear metal(II) complexes were synthesized and characterized by Fourier-transform infrared spectroscopy (FT-IR), ultraviolet-visible (UV-Visible), nuclear magnetic resonance (¹H-NMR), mass spectroscopy and molar conductance measurements. The ligand has been crystalized in the monoclinic system with a P21/c space group. The biological activities of metal complexes were evaluated using disc diffusion and broth dilution methods. In vitro antibacterial activities of the ligand and their metal complexes were examined against two Gram-positive bacteria (Bacillus subtilis and Staphylococcus aureus) and two Gram-negative bacteria (Escherichia coli and Serratia marcescens) and compared to the standard drugs. It was found that metal complexes displayed much higher antibacterial activities and better inhibitory effects than that of the ligand and standard drugs. Among these complexes, the compound having Zn-metal showed greater antibacterial activity against all four tested bacteria and was more effective against Serratia marcescens with the zone inhibition diameter of 26 mm and MIC value of 31.25 µg/mL.

| S-EPMC6149768 | biostudies-literature

1,2-Bis(diphenyl-phosphino)-1,2-diethyl-hydrazine.

Project description:The title compound, C(28)H(30)N(2)P(2), adopts a well documented and studied gauche conformation around the hydrazine bond. Bond lengths and angles are in the typical ranges expected for P-N and P-C bonds. A normal hydrazine N-N bond length of 1.426?(3)?Å is observed.

| S-EPMC2979499 | biostudies-literature

Diethyl 2,5-diphenyl-furan-3,4-dicarboxyl-ate.

Project description:In the title compound, C(22)H(20)O(5), the substituted benzene rings are twisted away from the furan ring, making dihedral angles of 54.91?(14) and 20.96?(15)° with the furan ring. The dihedral angle between the two benzene rings is 46.89?(13)°. One ethyl group of one eth-oxy-carbonyl unit is disordered over two sets of sites with occupancies of 0.56?(12) and 0.44?(12). In the crystal, weak intra-molecular C-H?O hydrogen bonds link the mol-ecules into chains along the c axis.

| S-EPMC3011628 | biostudies-literature

Diethyl indolizine-1,3-dicarboxyl-ate.

Project description:The title compound, C(14)H(15)NO(4), was prepared by a 1,3-dipolar cyclo-addition from N-(eth-oxy-carbonyl-methy)pyridinium bromide and ethyl acrylate. The -CO(2) side chains form dihedral angles of 0.2?(3) and 2.4?(3)° with respect to the ring system. In the crystal, two neighbouring mol-ecules form a dimer through weak C-H?O interactions. The dimers form a three-dimensional structure via further weak C-H?O inter-actions.

| S-EPMC3050233 | biostudies-literature

4-(1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-yl)-1,3-diphenyl-1H-pyrazole.

Project description:The title compound, C(30)H(24)N(4), contains two pyrazole rings and four phenyl rings. The pyrazole rings are essentially planar, with maximum deviations of 0.003?(1) and 0.066?(1)?Å and make a dihedral angle of 73.43?(6)°. The two pyrazole rings make dihedral angles of 40.08?(6), 9.28?(6), 15.78?(8) and 17.25?(7)° with their attached phenyl rings. In the crystal, there are no significant inter-molecular hydrogen-bonding inter-actions. The crystal structure is stabilized by C-H?? inter-actions.

| S-EPMC3247563 | biostudies-literature

N,N'-Diphenyl-thio-urea acetone monosolvate.

Project description:In the title compound, C(13)H(12)N(2)S·C(3)H(6)O, the phenyl rings of the thio-urea mol-ecule are in syn and anti positions in relation to the C=S bond. Two mol-ecules are connected by N-H?S=C hydrogen bonds into a centrosymmetric dimer. An additional N-H?O=C hydrogen bond to the acetone solvent mol-ecule and some weak C-H?? inter-actions reinforce the crystal structure.

| S-EPMC3050175 | biostudies-literature

Tetra-kis(1,3-diphenyl-propane-1,3-dionato)hafnium(IV).

Project description:In the title compound, [Hf(C(15)H(11)O(2))(4)], the Hf(IV) atom is coordinated by four 1,3-diphenyl-propane-1,3-dionato ligands with an average Hf-O distance of 2.17?(3)?Å and O-Hf-O bite angles varying from 74.5?(1) to 75.02?(9)°. The coordination polyhedron shows a slightly distorted Archimedean square-anti-prismatic geometry. The crystal packing is stabilized by weak C-H?O inter-actions.

| S-EPMC3008122 | 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