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(E)-1-{4-[Bis(4-meth-oxy-phen-yl)meth-yl]piperazin-1-yl}-3-(4-fluoro-phen-yl)prop-2-en-1-one.

ABSTRACT: In the title compound, C(28)H(29)FN(2)O(3), the conformation about the ethene bond is E. The piperazine ring adopts a chair conformation. In the crystal, mol-ecules are linked by inter-molecular C-H⋯O hydrogen bonds.

SUBMITTER: Teng YB

PROVIDER: S-EPMC3051918 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(E)-1-{4-[Bis(4-fluoro-phen-yl)meth-yl]piperazin-1-yl}-3-(4-eth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(28)H(28)F(2)N(2)O(2), the ethene bond exhibits an E conformation and the piperazine ring adopts a chair conformation. The amide-N atom of the piperazine ring is almost planar (bond-angle sum = 358.8°) whereas the other N atom is clearly pyramidal (bond-angle sum = 330.5°). The dihedral angle between the fluoro-benzene rings is 76.36 (17)°. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds generate R(2) (2)(22) loops.

| S-EPMC3238988 | biostudies-literature

(E)-3-(2-Eth-oxy-phen-yl)-1-{4-[(2-fluoro-phen-yl)(4-fluoro-phen-yl)meth-yl]piperazin-1-yl}prop-2-en-1-one.

Project description:In the title compound, C(28)H(28)F(2)N(2)O(2), the piperazine ring has a chair conformation with the pendant N-C bonds in equatorial orientations. The C=C double bond has an E conformation and the dihedral angle between the fluoro-benzene rings is 70.8?(3)°. In the crystal, mol-ecules are linked by C-H?O and C-H?F hydrogen bonds.

| S-EPMC3379522 | biostudies-literature

(E)-1-{4-[Bis(4-meth-oxy-phen-yl)meth-yl]piperazin-1-yl}-3-(4-methyl-phen-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(29)H(32)N(2)O(3), the piperazine ring has a chair conformation. The amide N atom is almost planar (bond angle sum = 359.5°), whereas the other N atom is clearly pyramidal (bond angle sum = 330.4°). The dihedral angle between the meth-oxy-benzene rings is 81.29?(16)°. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds.

| S-EPMC3201336 | biostudies-literature

(E)-1-{4-[Bis(4-bromo-phen-yl)meth-yl]piperazin-1-yl}-3-(4-eth-oxy-3-meth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(29)H(30)Br(2)N(2)O(3), the piperazine ring has a chair conformation and the C=C double bond has an E conformation. The dihedral angle between the bromo-benzene rings is 79.1?(3)°. In the crystal, mol-ecules are linked through C-H?O and C-H?Br hydrogen bonds.

| S-EPMC3254469 | biostudies-literature

(E)-1-{4-[Bis(4-meth-oxy-phen-yl)meth-yl]piperazin-1-yl}-3-(3,4-dieth-oxy-phen-yl)prop-2-en-1-one ethanol disolvate.

Project description:The asymmetric unit of the title compound, C(32)H(38)N(2)O(5)·2C(2)H(6)O, contains one main mol-ecule and two solvent mol-ecules, which inter-act via inter-molecular O-H⋯O hydrogen bonds. The piperazine ring adopts a chair conformation. The crystal packing exhibits weak inter-molecular C-H⋯O hydrogen bonds and voids of 31 Å(3).

| S-EPMC3274991 | biostudies-literature

4-[Bis(4-fluoro-phen-yl)meth-yl]-1-[(2E)-3-phenyl-prop-2-en-1-yl]piperazin-1-ium 3-carb-oxy-propano-ate.

Project description:In the title salt, C(26)H(27)F(2)N(2) (+)·C(4)H(5)O(4) (-), the piperazine N atom bearing the vinylic substituent is protonated. The piperazine ring adopts a chair conformation. In ther crystal, the succinate monoanions are connected via short O-H⋯O hydrogen bonds between the carb-oxy-lic acid and carboxyl-ate groups into undulating chains extending along [001] and the flunarizinium monocations are attached to these chains via N(+)-H⋯O(-) hydrogen bonds. C-H⋯O inter-actions connect these chains into a three-dimensional network. The shortest centroid-centroid distance of 3.7256 (10) Å was found between one of the fluorinated benzene rings and the non-fluorinated phenyl ring in the neighbouring mol-ecule related by a glide plane.

| S-EPMC3569791 | biostudies-literature

(E)-1-[2-Hy-droxy-4,6-bis-(meth-oxy-meth-oxy)phen-yl]-3-[3-meth-oxy-4-(meth-oxy-meth-oxy)phen-yl]prop-2-en-1-one.

Project description:The title compound, C(22)H(26)O(9), crystallizes with two independent mol-ecules in the asymmetric unit in which the dihedral angles between the two benzene rings are 21.4?(2) and 5.1?(2)°. An intra-molecular O-H?O hydrogen bond occurs in each mol-ecule. Inter-molecular C-H?O hydrogen bonds stabilize the crystal structure.

| S-EPMC3247344 | biostudies-literature

(2E)-1-(2,6-Dichloro-3-fluoro-phen-yl)-3-(4-meth-oxy-phen-yl)prop-2-en-1-one.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(16)H(11)Cl(2)FO(2). The F atom equally populates both meta positions of the 6-dichloro-3-fluoro-phenyl ring in each mol-ecule, resulting in 0.5 occupancy for both the F and H atoms in these positions. The dihedral angle between the mean planes of the benzene rings are 77.5?(2) and 89.8?(8)°in the two mol-ecules. In the crystal, weak C-H?F and C-H?O inter-actions involving the half-occupied H and F atoms are observed. Weak ?-? stacking inter-actions [centroid-centroid distance = 3.150?(2)?Å] also contribute to the crystal stability.

| S-EPMC3344105 | biostudies-literature

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

Project description:In the title compound, C17H14F2O3, the dihedral angle between the benzene rings is 20.56 (8)° and the H atoms at the central propenone group are trans configured. One of the F atoms is disordered over two positions (occupancy ratio 0.57:0.43) and was refined using a split model. In the crystal, the molecules are linked into centrosymmetrical dimers and are further connected into a three-dimensional network via weak C-H⋯O interactions.

| S-EPMC3685099 | biostudies-literature

(E)-1-{4-[Bis(4-meth-oxy-phen-yl)meth-yl]piperazin-1-yl}-3-(4-eth-oxy-3-meth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the mol-ecule of the title compound, C(31)H(36)N(2)O(5), the piperazine ring displays a chair conformation. The dihedral angle between the benzene rings of the bis-(4-meth-oxy-phen-yl)methyl group is 83.42?(15)°. In the crystal, centrosymmetric-ally related mol-ecules are linked through pairs of C-H?O hydrogen bonds into dimers, generating an R(2) (2)(10) ring motif. The dimers are further connected into chains parallel to [2-10] by C-H?O hydrogen bonds involving the meth-oxy groups.

| S-EPMC3344185 | biostudies-other

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