Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(Z)-1-Di-phenyl-methyl-4-(3-phenyl-prop-2-en-yl)piperazine.

ABSTRACT: In the title compound, C26H28N2, the piperazine group adopts a chair conformation with the exocyclic N-C bonds in equatorial orientations. The dihedral angle between the geminal benzene rings is 80.46?(12)° and the C=C-C-N torsion angle is 145.9?(2)°. In the crystal, weak C-H?? inter-actions link the mol-ecules into [100] chains.

SUBMITTER: Shivaprakash S

PROVIDER: S-EPMC4011253 | biostudies-literature | 2014 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(Z)-1-Di-phenyl-methyl-4-(3-phenyl-prop-2-en-yl)piperazine.

Shivaprakash S S Chandrasekara Reddy G G Jasinski Jerry P JP

Acta crystallographica. Section E, Structure reports online 20140418 Pt 5

In the title compound, C26H28N2, the piperazine group adopts a chair conformation with the exocyclic N-C bonds in equatorial orientations. The dihedral angle between the geminal benzene rings is 80.46 (12)° and the C=C-C-N torsion angle is 145.9 (2)°. In the crystal, weak C-H⋯π inter-actions link the mol-ecules into [100] chains. ...[more]

PMID: 24860379

Similar Datasets

1-(3,4-Di-fluoro-benz-yl)-4-(4-methyl-phenyl-sulfon-yl)piperazine.

Project description:In the title compound, C18H20F2N2O2S, the central piperazine ring adopts a chair conformation. The dihedral angle between the two benzene rings is 40.20°, whereas those between the piperazine ring (considering the best fit plane through all the non-H atoms) and the sulfonyl-bound benzene and di-fluoro-benzene rings are 74.96 and 86.16°, respectively. In the crystal, mol-ecules are stacked along the a axis through weak C-H?O and C-H?F inter-actions.

| S-EPMC3770435 | biostudies-literature

(E)-1-[4-(Methyl-sulfan-yl)phen-yl]-3-phenyl-prop-2-en-1-one.

Project description:In the title mol-ecule, C(16)H(14)OS, the dihedral angle between the phenyl and benzene rings is 3.81?(15)°. The H atoms of the central enone group are trans. The propenone unit makes dihedral angles of 11.73?(18) and 11.62?(17)° with the benzene and phenyl rings, respectively. The crystal structure is stabilized by weak C-H?O and C-H?? inter-actions.

| S-EPMC2961704 | biostudies-literature

2-Meth-oxy-4-(prop-2-en-1-yl)phenyl 2,4-di-chloro-benzoate.

Project description:In the title compound, C17H14Cl2O3, the two benzene rings are twisted by 73.6?(2)°. The twist is similar to that found in the unsubstituted compound, viz. phenyl benzoate. In the crystal, inversion dimers are linked by pairs of C-H?O inter-actions.

| S-EPMC3770367 | biostudies-literature

1-(3,4-Di-meth-oxy-phen-yl)-3-phenyl-prop-2-en-1-one.

Project description:In the title compound, C17H16O3, the dihedral angle between the mean planes of the benzene rings is 57.1?(1)°. The mean plane of the ketone group is twisted by 10.0?(5)° from that of the di-meth-oxy-phenyl ring. The two di-meth-oxy-phenyl groups are twisted slighly from the mean plane of the phenyl ring, with C-O-C-C torsion angles of 6.4?(2) and -7.9?(2)° [r.m.s. deviations = 0.15?(3) and 0.18?(3)?Å for the two methoxy C atoms]. In the crystal, weak centroid-centroid ?-? stacking inter-actions, with inter-centroid distances of 3.8939?(11) and 3.9430?(10)?Å are observed.

| S-EPMC3998479 | biostudies-literature

(E)-1-(2-Methyl-4-phenyl-quinolin-3-yl)-3-phenyl-prop-2-en-1-one.

Project description:In the title compound, C(25)H(19)NO, the quinoline ring system is approximately planar, with a maximum deviation of 0.32?(1)?Å, and forms dihedral angles of 80.74?(3) and 81.71?(4)° with the two phenyl rings. In the crystal. mol-ecules are stacked along the b axis by way of a C-H?? inter-action and a weak ?-? inter-action between the pyridine and phenyl rings with a centroid-centroid distance of 3.6924?(5)?Å.

| S-EPMC3100028 | biostudies-literature

N-Methyl-2-(1-methyl-3-phenyl-prop-2-en-1-yl-idene)hydrazinecarbo-thio-amide.

Project description:In the title compound, C12H15N3S, the mol-ecule deviates slightly from planarity, with a maximum deviation from the mean plane of the non-H atoms of 0.2756?(6)?Å for the S atom and a torsion angle for the N-N-C-N fragment of -7.04?(16)°. In the crystal, mol-ecules are linked by N-H?S hydrogen-bond inter-actions, forming centrosymmetric dimers. Additionally, one weak intra-molecular N-H?N hydrogen-bond inter-action is observed. The crystal packing shows a herringbone arrangement viewed along the c axis.

| S-EPMC4120594 | biostudies-literature

1-[Bis(4-fluoro-phen-yl)meth-yl]-4-[(2Z)-3-phenyl-prop-2-en-1-yl]piperazine-1,4-diium dichloride hemihydrate.

Project description:The asymmetric unit of the title monohydrated salt, 2C26H28F2N2 (2+)·4Cl(-.)H2O, consists of a 1-[bis-(4-fluoro-phen-yl)meth-yl]-4-[(2Z)-3-phenyl-prop-2-en-1-yl]piperazine-1,4-diium cation with a diprotonated piperizine ring in close proximity to two chloride anions and a single water mol-ecule that lies on a twofold rotation axis. In the cation, the piperazine ring adopts a slightly distorted chair conformation. The dihedral angles between the phenyl ring and the 4-fluoro-phenyl rings are 89.3?(9) and 35.0?(5)°. The two fluoro-phenyl rings are inclined at 65.0?(5)° to one another. In the crystal, N-H?Cl hydrogen bonds and weak C-H?Cl inter-molecular inter-actions link the mol-ecules into chains along [010]. In addition, weak C-H?O inter-actions between the piperizine and prop-2-en-1-yl groups with the water mol-ecule, along with weak C-H?Cl inter-actions between the prop-2en-1-yl and methyl groups with the chloride ions, weak C-H?F inter-actions between the two fluoro-phenyl groups and weak O-H?Cl inter-actions between the water mol-ecule and chloride ions form a three-dimensional supra-molecular network.

| S-EPMC4051083 | biostudies-literature

2-Bromo-1-(4-methyl-phen-yl)-3-phenyl-prop-2-en-1-one.

Project description:In the crystal structure of the title compound, C(16)H(13)BrO, the two benzene rings are twisted from each other with a dihedral angle of 52.55?(9)°. Both an intra-molecular C-H?Br hydrogen bond, which generates an S(6) ring motif, and a short Br?O contact [2.9907?(19)?Å] may influence the conformation of the mol-ecule. The crystal packing is stabilized by weak inter-molecular C-H?O inter-actions.

| S-EPMC2962181 | biostudies-literature

(2E)-3-(4-Methyl-phen-yl)-1-(2-methyl-4-phenyl-quinolin-3-yl)prop-2-en-1-one monohydrate.

Project description:The title hydrate, C(26)H(21)NO·H(2)O, exhibits significant twists of the benzene ring [dihedral angle = 87.24?(6)°] and chalcone residue [C-C-C-C torsion angle = -94.46?(17)°] out of the plane through the quinoline ring system. The conformation about the C=C bond [1.341?(2)?Å] is E. The solvent water mol-ecule forms hydrogen bonds to carbonyl O and quinoline N atoms derived from two mol-ecules and through the application of a centre of inversion, a 16-membered {?HOH?OC(3)N}(2) synthon is formed to stabilize the resulting tetra-meric (two organic mol-ecules plus two water mol-ecules) aggregate. These are connected into a two-dimensional array via two C-H?O contacts, also involving the water mol-ecule. The layers stack along the c axis, being linked by C-H?? inter-actions.

| S-EPMC3009190 | biostudies-literature

(2E)-N-Methyl-2-[(2E)-3-phenyl-prop-2-en-1-yl-idene]hydrazinecarbothio-amide.

Project description:The title compound, C(11)H(13)N(3)S, is close to being planar, with a dihedral angle of 9.64?(3)° between the benzene ring and the thio-semicarbazone mean plane, maintained by the presence of ?-conjugation in the chain linking the the two systems. In the crystal, N-H?S hydrogen bonds form centrosymmetric dimers through a cyclic association [graph-set R(2) (2)(8)].

| S-EPMC3470202 | 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