Browse
Submit Data
Databases
API
Help

Dataset Information

28 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Ethyl N-(2-acetyl-3-oxo-1-phenyl-but-yl)carbamate.

ABSTRACT: In the title compound, C15H19NO4, all three carbonyl groups are syn-oriented with respect to the methine group attached to the phenyl ring. The mean planes of the phenyl ring and ethyl carbamate moiety form a dihedral angle of 65.2?(1)°. In the crystal, mol-ecules related by translation in [100] are linked into chains via N-H?O hydrogen bonds.

SUBMITTER: Volov AN

PROVIDER: S-EPMC3790398 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Ethyl N-(2-acetyl-3-oxo-1-phenyl-but-yl)carbamate.

Volov Alexander N AN Zamilatskov Ilia A IA

Acta crystallographica. Section E, Structure reports online 20130912 Pt 10

In the title compound, C15H19NO4, all three carbonyl groups are syn-oriented with respect to the methine group attached to the phenyl ring. The mean planes of the phenyl ring and ethyl carbamate moiety form a dihedral angle of 65.2 (1)°. In the crystal, mol-ecules related by translation in [100] are linked into chains via N-H⋯O hydrogen bonds. ...[more]

PMID: 24098217

Similar Datasets

Ethyl N-(2-benzoyl-3-oxo-3-phenyl-propano-yl)carbamate.

Project description:In the title compound, C(19)H(17)NO(5), the dihedral angle between the phenyl groups is 79.55?(15)°. The terminal eth-oxy group is disordered over two orientations in a 0.873?(6):0.127?(6) ratio. In the crystal, mol-ecules are linked by N-H?O and C-H?O hydrogen bonds into [001] chains which incorporate R(1) (2)(6) loops. A very weak C-H?? contact also occurs.

| S-EPMC3569755 | biostudies-literature

2-Oxo-2-(2-oxo-2H-chromen-3-yl)ethyl di-ethyl-dithio-carbamate.

Project description:In the title compound, C16H17NO3S2, the dihedral angles between the O/C/C/S group and the 2H-chromene ring system and the thio-carbamate group are 14.46?(9) and 83.30?(9)°, respectively. The bond-angle sum at the N atom is 360.0°. One of the methyl C atoms lies above the thio-carbamate plane and one lies below it [deviations = 1.264?(3) and -1.147?(3)?Å, respectively]. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds generate R 2 (2)(10) loops. Weak aromatic ?-? stacking inter-actions [shortest centroid-centroid distance = 3.8138?(11)?Å] are also observed.

| S-EPMC3884423 | biostudies-literature

Crystal structure of 2-oxo-2-phenyl-ethyl diiso-propyl-carbamate.

Project description:In the mol-ecular structure of the title compound, C15H21NO3, the urethane function and the benzoyl group are almost perpendicular to each other [dihedral angle 88.97 (5)°]. In the crystal structure, infinite supra-molecular layers in the bc plane are formed by weak C-H⋯O hydrogen bonds.

| S-EPMC8340964 | biostudies-literature

Ethyl 4-acetyl-5-oxo-3-phenyl-hexa-noate.

Project description:The reaction of ethyl 3-bromo-3-phenyl-propano-ate with pentane-2,4-dione, in the presence of palladium(II) acetate and triphenyl-phosphine, in dimethyl-formamide, unexpectedly gave the title product, C(16)H(20)O(4). The mol-ecule contains one chiral C atom but the crystal is racemic. In the crystal, neighboring mol-ecules form a chain along [100] through three weak C-H⋯O inter-actions. Furthermore, a double-stranded structure is formed through weak C-H⋯O inter-actions between two parallel chains.

| S-EPMC3099969 | biostudies-literature

Ethyl (4-{[(di-ethyl-carbamo-thio-yl)sulfan-yl]meth-yl}-2-oxo-2H-chromen-7-yl)carbamate.

Project description:In the title compound, C18H22N2O4S2, the 2H-chromene ring system is essentially planar (r.m.s. deviation = 0.012?Å). The mol-ecular conformation is stabilized by a C-H?O hydrogen bond. In the crystal, N-H?S and C-H?O hydrogen bonds occur, the former enclosing an R (2) 2(22) ring motif, and lead to the formation of a two-dimensional slab-like network lying parallel to (10-1). ?-? inter-actions are observed between inversion-related aromatic rings [shortest centroid-centroid distance = 3.6300?(11)?Å].

| S-EPMC3998360 | biostudies-literature

Crystal structure of 2-oxo-1,2-di-phenyl-ethyl diiso-propyl-carbamate.

Project description:The title compound, C21H25NO3, crystallized as a racemic twin in the Sohnke space group P21. In the mol-ecular structure of the title compound, both enanti-omers show a highly similar conformation with the urethane function and the benzoyl group showing an almost perpendicular arrangement [the dihedral angle is 72.46 (8)° in the S-enanti-omer and 76.21 (8)° in the R-enanti-omer]. In the crystal structure, mol-ecules of both enanti-omers show infinite helical arrangements parallel to the b axis formed by weak C-H⋯O hydrogen bonds between the phenyl ring of the benzoyl group and the carbamate carbonyl group. In case of the R-enanti-omer, this helix is additionally stabilized by a bifurcated hydrogen bond between the carbonyl function of the benzoyl group towards both phenyl groups of the mol-ecule.

| S-EPMC8587984 | biostudies-literature

(Z)-1-Acetyl-3-[2-oxo-1-phenyl-2-(3-pyrid-yl)ethyl-idene]indolin-2-one.

Project description:The title compound, C(23)H(16)N(2)O(3), exists in a Z configuration with respect to the acyclic C=C bond. The pyridine and phenyl rings are oriented at dihedral angles of 72.97 (4) and 45.05 (4)°, respectively, with respect to the almost planar indoline ring system [maximum deviation 0.080 (1) Å]. The pyridine and phenyl rings are oriented almost perpendicular to each other [dihedral angle 88.93 (5)°]. In the crystal, mol-ecules are inter-connected into a three-dimensional framework via inter-molecular C-H⋯O and C-H⋯N hydrogen bonds and weak π-π inter-actions [centroid-centroid distance = 3.681 (1) Å].

| S-EPMC3007968 | biostudies-literature

3-[(3S)-3-Ethyl-1-methyl-azepan-3-yl]phenyl N-(4-fluoro-phen-yl)carbamate.

Project description:The asymmetric unit of the title compound, C(22)H(27)FN(2)O(2), a (-)-S-meptazinol derivative, contains two mol-ecules. The azepane ring adopts a similar twist chair form in both mol-ecules, while the dihedral angles between the two benzene rings are 88.17?(14) and 89.93?(14)° in the two mol-ecules. The absolute configuration of the mol-ecule was determined from the synthetic starting material. The crystal structure is stabilized by classical inter-molecular N-H?O hydrogen bonds.

| S-EPMC3007005 | biostudies-literature

Phenyl N-(p-tol-yl)carbamate.

Project description:The asymmetric unit of the title compound, C(14)H(13)NO(2), contains two crystallographically independent mol-ecules, in which the aromatic rings are oriented at dihedral angles of 59.01?(3) and 56.98?(3)°. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains.

| S-EPMC2969509 | biostudies-literature

Phenyl N-(4-fluorophen-yl)carbamate.

Project description:The asymmetric unit of the title compound, C(13)H(10)FNO(2), contains two crystallographically independent mol-ecules. The aromatic rings are oriented at dihedral angles of 61.77?(3) and 53.94?(3)° in the two mol-ecules. An N-H?O hydrogen bond links the mol-ecules. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains. Weak C-H?? inter-actions are also present.

| S-EPMC2977719 | 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