Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-[(3-Hydroxypropyl)amino]-1-phenyl-but-2-en-1-one.

ABSTRACT: The title compound, C(13)H(17)NO(2), has an intra-molecular N-H?O hydrogen bond, forming a planar six-membered ring with a mean deviation of 0.015?(5)?Å from the plane. This plane makes a dihedral angle of 7.19?(8)° with the adjacent phenyl ring. Through an inter-molecular O-H?O hydrogen bond, the mol-ecules with their 2(1) screw and b-translation equivalents form a helical chain running parallel to the b axis.

SUBMITTER: Arul Jeevan TS

PROVIDER: S-EPMC2968111 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-[(3-Hydroxypropyl)amino]-1-phenyl-but-2-en-1-one.

Arul Jeevan T S TS Nagaraja K S KS

Acta crystallographica. Section E, Structure reports online 20081224 Pt 1

The title compound, C(13)H(17)NO(2), has an intra-molecular N-H⋯O hydrogen bond, forming a planar six-membered ring with a mean deviation of 0.015 (5) Å from the plane. This plane makes a dihedral angle of 7.19 (8)° with the adjacent phenyl ring. Through an inter-molecular O-H⋯O hydrogen bond, the mol-ecules with their 2(1) screw and b-translation equivalents form a helical chain running parallel to the b axis. ...[more]

PMID: 21581660

Similar Datasets

4-(2-Chloro-phenyl-amino)-pent-3-en-2-one.

Project description:In the title compound, C(11)H(12)ClNO, intra-molecular N-H?O hydrogen bonding is present. The dihedral angle between the benzene ring and the pentenone unit is 46.52?(5)°. In the crystal, C-H?O inter-actions between hydrogen atoms of the aryl moiety and two separate oxygen atoms occur, leading to a three-dimensional network.

| S-EPMC3515202 | biostudies-literature

(Z)-3-[(2-Amino-benz-yl)amino]-1-phenyl-but-2-en-1-one.

Project description:In the title compound, C17H18N2O, the aromatic rings are almost normal to one another, making a dihedral angle of 89.00?(8)°. There is an intra-molecular N-H?O hydrogen bond in the mol-ecule enclosing an S(6) ring motif. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, forming chains along [010].

| S-EPMC4120556 | biostudies-literature

(Z)-3-(2-Amino-anilino)-1-phenyl-but-2-en-1-one.

Project description:In the title compound, C16H16N2O, the phenyl and 2-amino-phenyl rings are almost perpendicular to one another, with a dihedral angle of 82.77?(8)°. There is an intra-molecular N-H?O hydrogen bond in the mol-ecule. In the crystal, mol-ecules are linked via N-H?O hydrogen bonds forming chains along [001]. There are also C-H?? inter-actions present, linking the chains to form a three-dimensional structure.

| S-EPMC3648304 | biostudies-literature

3-[4-(Dimethyl-amino)phenyl]-1-(3-pyridyl)prop-2-en-1-one.

Project description:The pyridyl and aryl rings in the title compound, C(16)H(16)N(2)O, which are located at the ends of the propenone unit, are inclined at an angle of 17.1 (1)° with respect to each other.

| S-EPMC2977746 | biostudies-literature

(3Z)-1,1,1-Trifluoro-4-phenyl-4-[(2-{[(1Z)-4,4,4-trifluoro-3-oxo-1-phenyl-but-1-en-1-yl]amino}-eth-yl)amino]-but-3-en-2-one.

Project description:In the title compound, C(22)H(18)F(6)N(2)O(2), the five atoms comprising each O=C-C=C-N fragment are almost coplanar (the r.m.s. deviation for the fitted atoms being 0.008 and 0.002?Å) and form a dihedral angle of 47.70?(12)°. The phenyl ring attached to each of the O=C-C=C-N fragments is twisted out of the respective plane with dihedral angles of 64.46?(11) and 61.82?(10)°, respectively. An almost orthogonal relationship for the phenyl rings is indicated by the dihedral angle between them of 78.19?(14)°. The conformation about each ethyl-ene bond is Z, which allows for the formation of intra-molecular N-H?O hydrogen bonds which close S(6) loops. The most prominent feature of the crystal packing are N-H?O hydrogen bonds that result in supra-molecular chains along the a axis. The F atoms of one -CF(3) groups are disordered over three sets of sites with site-occupation factors of 0.318?(4), 0.360?(10) and 0.322?(9).

| S-EPMC3394068 | biostudies-literature

(E)-3-[5-(Di-phenyl-amino)-thio-phen-2-yl]-1-(pyridin-3-yl)prop-2-en-1-one.

Project description:In the title compound, C24H18N2OS, the pyridine and the two phenyl rings are oriented at dihedral angles of 10.1?(5), 71.7?(6) and 68.7?(5)°, respectively, to the central thio-phene ring. In the crystal, pairs of weak C-H?O hydrogen bonds link inversion-related mol-ecules, forming dimers. The dimers are linked by further weak C-H?O hydrogen bonds, forming chains running along the a-axis direction.

| S-EPMC3884491 | biostudies-literature

(E)-1-Ferrocenyl-3-phenyl-prop-2-en-1-one.

Project description:The title compound, [Fe(C(5)H(5))(C(14)H(11)O)], exists as the E isomer, and the substituent is fully conjugated with the attached five-membered ring. In the ferrocene unit, the substituted cyclo-penta-dienyl ring (Cps) plane and unsubstituted cyclo-penta-dienyl ring (Cp) plane are almost parallel, and the C atoms in Cp and Cps are in an eclipsed conformation. In the crystal structure, mol-ecules are linked into C(5) chains via inter-molecular C-H⋯O hydrogen bonds, and neighbouring chains are assembled into sheets by inter-molecular C-H⋯π(arene) hydrogen bonds along the c axis.

| S-EPMC2961926 | biostudies-literature

1-Phenyl-3-(pyren-1-yl)prop-2-en-1-one.

Project description:The title compound, C(25)H(16)O, was prepared by the condens-ation reaction of pyrene-1-carbaldehyde and acetophenone in ethanol solution at room temperature. The phenyl ring forms a dihedral angle of 39.10?(11)° with the pyrene ring system. In the crystal structure, adjacent pyrene ring systems are linked by aromatic ?-? stacking inter-actions, with a perpendicular inter-planar distance of 3.267?(6)?Å and a centroid-centroid offset of 2.946?(7)?Å.

| S-EPMC2960839 | biostudies-literature

1-(2-Naphth-yl)-3-phenyl-prop-2-en-1-one.

Project description:The title compound, C(19)H(14)O, contains two independent mol-ecules with the same s-cis conformation for the ketone unit. Both mol-ecules are non-planar with dihedral angles of 51.9?(1) and 48.0?(1)° between the benzene ring and the naphthalene ring system. In the crystal, neighboring mol-ecules are stabilized by intermolecular C-H?? inter-actions, giving a two-dimensional supra-molecular array parallel to the ab plane.

| S-EPMC2977316 | biostudies-literature

(E)-1,5-Di-phenyl-pent-2-en-4-yn-1-one.

Project description:The title compound, C17H12O, has an E conformation about the C=C bond. The C-C C-C torsion angle is 7.7?(2)°, and the mean planes of the phenyl-ethyl-enone [r.m.s. deviation = 0.059?(1)?Å] and phenyl-acetyl-ene [r.m.s. deviation = 0.023?(1)?Å] fragments form a dihedral angle of 14.16?(7)°. In the crystal, weak C-H?O inter-actions link the mol-ecules into zigzag chains propagated in [010].

| S-EPMC3685064 | 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