Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(S)-(-)-2-(1H-Indol-3-yl)-N-(1-phenyl-eth-yl)acetamide.

ABSTRACT: In the title compound, C(18)H(18)N(2)O, the dihedral angle between the indole system and the phenyl ring is 17.2?(2)°. The crystal packing features two N-H?O hydrogen bonds, which link the mol-ecules into layers parallel to (001). The absolute configuration was determined by the synthetic procedure and was set according to the starting material.

SUBMITTER: Ramirez J

PROVIDER: S-EPMC3394039 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(S)-(-)-2-(1H-Indol-3-yl)-N-(1-phenyl-eth-yl)acetamide.

Ramírez Johana J Romero Oscar O Juárez Jorge R JR Terán Joel L JL Mendoza Angel A

Acta crystallographica. Section E, Structure reports online 20120630 Pt 7

In the title compound, C(18)H(18)N(2)O, the dihedral angle between the indole system and the phenyl ring is 17.2 (2)°. The crystal packing features two N-H⋯O hydrogen bonds, which link the mol-ecules into layers parallel to (001). The absolute configuration was determined by the synthetic procedure and was set according to the starting material. ...[more]

PMID: 22798904

Similar Datasets

3-(2-Acetamido-eth-yl)-1H-indol-5-yl 4-nitro-phenyl carbonate.

Project description:In the title mol-ecule, C(19)H(17)N(3)O(6), the indole ring system is essentially planar (r.m.s. deviation = 0.009 Å) and forms a dihedral angle of 31.96 (9)° with the nitro-substituted benzene ring. In the crystal, mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, forming inversion dimers which are connected by further N-H⋯O hydrogen bonds into a two-dimensional network parallel to (102).

| S-EPMC3470262 | biostudies-literature

[2-(1H-Indol-4-yl)eth-yl]dipropyl-amine.

Project description:In the title compound, C(16)H(24)N(2), the aliphatic amine substituent is rotated almost orthogonally [C-C-C-C torsion angle = 75.7 (3)°] out of the plane of the indole unit. The amine N atom has a pyramidal configuration deviating by 0.380 (3) Å from the plane of the adjacent C atoms. All of the aliphatic groups are in extended transoid conformations. In the crystal, mol-ecules form chains along the a axis via N-H⋯N hydrogen bonds.

| S-EPMC3344611 | biostudies-literature

Benzyl N-[2-(1H-indol-3-yl)eth-yl]dithio-carbamate.

Project description:The indole and phenyl ring systems in the title compound, C(18)H(18)N(2)S(2), are nearly coplanar, the indole and phenyl planes forming a dihedral angle of 6.5 (1)°. Supra-molecular aggregation is effected by N-H⋯S, C-H⋯S, N-H⋯π and C-H⋯π inter-actions. The crystal studied exhibited inversion twinning.

| S-EPMC2915340 | biostudies-literature

Crystal structure of 1-methyl-3-[2,2,2-tri-fluoro-1-(1-methyl-1H-indol-3-yl)-1-phenyl-eth-yl]-1H-indole.

Project description:The title compound, C26H21F3N2, was prepared by the palladium-catalysed reaction of (2,2,2-tri-fluoro-eth-yl)benzene with 1-methyl-1H-indole. The dihedral angle between the planes of the indole-ring systems is 52.13?(6)° and the N-methyl groups point away from each other. Three short intra-molecular C-H?F contacts are observed.

| S-EPMC4257249 | biostudies-literature

Phen-yl(1-phenyl-sulfonyl-1H-indol-2-yl)methanone.

Project description:The asymmetric unit of the title compound, C(21)H(15)NO(3)S, contains two crystallographically independent mol-ecules. As a result of the electron-withdrawing character of the phenyl-sulfonyl groups, the N-Csp(2) bond lengths are slightly longer than the anti-cipated value of approximately 1.35 Å for N atoms with planar configurations. Both unique S atoms have a distorted tetra-hedral configuration. In each mol-ecule, the indole ring system is essentially planar (r.m.s. deviations for all non-H atoms of 0.020 and 0.023 Å). In one mol-ecule, the indole ring system makes dihedral angles of 65.7 (8) and 73.4 (8)°, respectively, with the benzene and phenyl rings [62.2 (7) and 72.1 (7)°, respectively, in the other mol-ecule].

| S-EPMC3099964 | biostudies-literature

N-[(3-Phenylsulfanyl-1-phenylsulfonyl-1H-indol-2-yl)methyl]acetamide.

Project description:In the title compound, C(23)H(20)N(2)O(3)S(2), the phenylsulfonyl ring and phenylthio ring make dihedral angles of 66.5 (7) and 81.2 (6)°, respectively, with the indole unit. In the crystal, mol-ecules are linked into centrosymmetric dimers via pairs of N-H⋯O hydrogen bonds with graph-set motif R(2) (2)(14). The crystal structure is further stabilized by weak inter-molecular C-H⋯O and very weak C-H⋯π inter-actions.

| S-EPMC2977706 | biostudies-literature

Dichloridobis(2-{1-[2-(1H-indol-3-yl)ethyl-iminio]eth-yl}phenolate-κO)zinc(II)-2-{1-[2-(1H-indol-3-yl)ethyl-iminio]eth-yl}phenolate (1/2).

Project description:In the mononuclear complex mol-ecule of the title compond, [ZnCl(2)(C(18)H(18)N(2)O)(2)]·2C(18)H(18)N(2)O, the Zn atom, which lies on a twofold rotation axis, is coordinated by phenolate O atoms in a tetra-hedral coordination geometry. The coordinated Schiff base uses its indole NH donor site to form a hydrogen bond to the negatively charged phenolate O atom of the uncoordinated zwitterionic Schiff base. There is an intra-molecular N-H⋯O hydrogen bond in the coordinated and uncoordinated Schiff bases. The indole NH site of the uncoordinated Schiff base does not engage in a hydrogen-bond inter-action. The CH(2)-CH(2) group in the uncoordinated Schiff base is disordered equally over two positions.

| S-EPMC2961161 | biostudies-literature

N-[(3-Phenyl-sulfanyl-1-phenyl-sulfonyl-1H-indol-2-yl)meth-yl]propionamide.

Project description:In the title compound, C(24)H(22)N(2)O(3)S(2), the phenyl rings form dihedral angles of 75.2?(1) and 86.1?(1)° with the indole ring system. The mol-ecular structure is stabilized by intra-molecular C-H?O and N-H?O hydrogen bonds. The crystal structure exhibit inter-molecular N-H?O and C-H?O hydrogen bonds, C-H?? and ?-? [centroid-centroid distance = 3.748?(1)?Å] inter-actions.

| S-EPMC2971435 | biostudies-literature

(2-Methyl-1-phenyl-sulfonyl-1H-indol-3-yl)phenyl-methyl acetate.

Project description:In the title compound, C(24)H(21)NO(4)S, the indole ring system makes dihedral angles of 77.8 (1) and 85.4 (1)°, respectively, with the S- and C-bound phenyl rings. The mol-ecular structure is stabilized by a weak intra-molecular C-H⋯O hydrogen bond. In the crystal, a weak inter-molecular C-H⋯O hydrogen bond and a C-H⋯π inter-action are also observed.

| S-EPMC2970969 | biostudies-literature

(3-Phenyl-sulfanyl-1-phenyl-sulfonyl-1H-indol-2-yl)methyl acetate.

Project description:In the title compound, C(23)H(19)NO(4)S(2), the indole ring system makes dihedral angles of 89.6 (1) and 84.5 (8)° with the phenyl-sulfonyl and phenyl-sulfanyl rings, respectively. In the crystal, the mol-ecules are linked into C(10) chains running along the c axis by an inter-molecular C-H⋯O hydrogen bond. In addition, the crystal packing is stabilized by C-H⋯π inter-actions.

| S-EPMC3089099 | 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