Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-(3-Phenyl-prop-2-yn-yl)pyrrolidinium chloride.

ABSTRACT: The title compound C(13)H(16)N(+)·Cl(-), an achiral salt, was synthesized by a three-component coupling reaction in the presence of copper(I) iodide. The configuration of five-membered ring is close to an envelope conformation. The crystal structure is stabilized by inter-molecular C-H?Cl and N-H?Cl inter-actions.

SUBMITTER: Pang T

PROVIDER: S-EPMC2971203 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-(3-Phenyl-prop-2-yn-yl)pyrrolidinium chloride.

Pang Tao T Lu Hui H Pang Tao T

Acta crystallographica. Section E, Structure reports online 20091023 Pt 11

The title compound C(13)H(16)N(+)·Cl(-), an achiral salt, was synthesized by a three-component coupling reaction in the presence of copper(I) iodide. The configuration of five-membered ring is close to an envelope conformation. The crystal structure is stabilized by inter-molecular C-H⋯Cl and N-H⋯Cl inter-actions. ...[more]

PMID: 21578398

Similar Datasets

N-Phenyl-N-(3-phenyl-prop-2-yn-yl)aniline.

Project description:In the title compound, C(21)H(17)N, synthesized by a three-component coupling reaction in the presence of copper(I) iodide, the N-bound phenyl rings form a dihedral angle of 72.5?(1)° with each other. Thereare no remarkable inter-actions in the crystal structure.

| S-EPMC2970432 | biostudies-literature

1-(3-Oxo-3-phenyl-prop-yl)piperidinium chloride.

Project description:In the title salt, C14H20NO(+)·Cl(-), the piperidine ring adopts a chair conformation. In the crystal, the cations and anions are linked by classical N-H?Cl hydrogen bond and weak C-H?Cl and C-H?O hydrogen bonds; the C-H?O hydrogen bonds exhibit R 2 (2)(14) ring motifs while the C-H?Cl hydrogen bonds link the mol-ecules into chains along the a-axis direction. ?-? stacking is observed between parallel phenyl rings of adjacent cations, the centroid-centroid distance being 3.8164?(15)?Å.

| S-EPMC3885028 | biostudies-literature

4-Phenyl-1-(prop-2-yn-1-yl)-1H-1,5-benzodiazepin-2(3H)-one.

Project description:4-Phenyl-1H-1,5-benzodiazepin-2(3H)-one reacts in the pres-ence of a concentrated aqueous solution of sodium hydroxide and a quaternary ammonium salt (as catalyst) in benzene (phase transfer catalysis) with propargyl bromide, affording the title benzodiazepine derivative, C(18)H(14)N(2)O. In the mol-ecule, the mean plane of the propargyl substituent is almost perpendicular with that of the amide group [dihedral angle = 87.81?(8)°]. In the crystal, the molecules are linked by C-H?O and C-H?N inter-actions.

| S-EPMC3213519 | biostudies-literature

Crystal structure of [(2S,3R)-3-hy-droxy-3-phenyl-butan-2-yl]pyrrolidinium chloride.

Project description:In the title mol-ecular salt, C14H22NO(+)·Cl(-), the pyrrolidinium ring adopts a twisted conformation about one of the N-C bonds. It is oriented at a dihedral angle of 42.0 (1)° with respect to the benzene ring. The torsion angle for the central N-C-C-Car (ar = aromatic) linkage is 163.74 (15)°. In the crystal, the components are linked via N-H⋯Cl and O-H⋯Cl hydrogen bonds, forming zigzig chains along the b-axis direction. These chains are connected along the c axis by very weak C-H⋯π inter-actions, forming a two-dimensional supra-molecular network.

| S-EPMC4647393 | biostudies-literature

Triphen-yl(prop-2-yn-1-yl)silane.

Project description:In the title compound, C(21)H(18)Si, the coordination geometry around the Si atom is a slightly distorted tetra-hedron with C-Si-C angles in the range 106.05?(11) to 110.58?(10) ° and Si-C bond lengths in the range 1.855?(2) to 1.883?(3)?Å. The alkyne C-C bond length is 1.167?(4)?Å. The dihedral angles between the three phenyl rings are 63.89?(7), 86.38?(7) and 70.51?(8)°. In the crystal, mol-ecules inter-act only by van der Waals forces.

| S-EPMC3275207 | biostudies-literature

Pyrrolidinium chloride.

Project description:The title compound, C(4)H(10)N(+)·Cl(-), was obtained as a decomposition product from 2,6-bis-(pyrrolidin-yl)pyridine. The anion lies on the same cristallographic mirror plane as the N atom of the cation, the complete cation being generated by mirror symmetry. The anions and cations are connected by N(+)-H?Cl(-) hydrogen bonds into chains along [100]. The pyrrolidinium cation is puckered in an envelope conformation E(N1).

| S-EPMC2968435 | biostudies-literature

10-(Prop-2-yn-yl)-10H-phenothia-zine.

Project description:In the mol-ecule of the title compound, C(15)H(11)NS, the butterfly angle between the two planes defined by the two wings of the phenothia-zine unit is 33.5?(8)°. The dihedral angles between the two benzene rings and the propynyl group are 85?(4) and 63?(4)°.

| S-EPMC3009285 | biostudies-literature

4-(Prop-2-yn-1-yl-oxy)benzaldehyde.

Project description:In the title mol-ecule, C10H8O2, all non-H atoms are essentailly coplanar (r.m.s. deviation = 0.0192?Å), indicating an effective conjugation of the carbonyl group, the benzene ring and the lone pair of the propyn-yloxy O atom. In the crystal, ?-? stacking inter-actions [centroid-centroid distance = 3.5585?(15)?Å] connect mol-ecules into inversion dimers which are linked by Csp-H?O=C hydrogen bonds, forming a ladder-like structure.

| S-EPMC3588297 | biostudies-literature

2,4-Bis[(prop-2-yn-yl)-oxy]benzaldehyde.

Project description:In the title compound, C(13)H(10)O(3), two prop-2-yn-yloxy groups are attached to the benzaldehyde ring at positions 2 and 6. The crystal packing features C-H⋯O inter-actions.

| S-EPMC3414921 | biostudies-literature

1-(Prop-2-yn-yl)indoline-2,3-dione.

Project description:The structure of the title compound, C11H7NO2, is isotypic to that of its homologue, 1-octylindoline-2,3-dione [Qachchachi et al. (2013 ▶). Acta Cryst. E69, o1801]. The indoline ring and the two carbonyl O atoms are approximately coplanar, the largest deviation from the mean plane being 0.021 (1) Å for one of the O atoms. The mean plane through the fused ring system is nearly perpendicular to the propynyl group, as indicated by the N-C-C-C torsion angle of 77.9 (1)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds and π-π inter-actions between benzene rings [inter-centroid distance = 3.5630 (10) Å], forming a three-dimensional structure.

| S-EPMC3998508 | 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