scholarly journals Crystal structures of two new 3-(2-chloroethyl)-r(2),c(6)-diarylpiperidin-4-ones

2018 ◽  
Vol 74 (4) ◽  
pp. 483-486 ◽  
Author(s):  
K. Rajkumar ◽  
S. Sivakumar ◽  
R. Arulraj ◽  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Dihedral Angle ◽  
Crystal Packing ◽  
Chair Conformation ◽  
Phenyl Rings ◽  
The Mean

The syntheses and crystal structures of 3-(2-chloroethyl)-r-2,c-6-diphenylpiperidin-4-one, C19H20ClNO, (I), and 3-(2-chloroethyl)-r-2,c-6-bis(4-fluorophenyl)piperidin-4-one, C19H18ClF2NO, (II), are described. The piperidone ring adopts a chair conformation in (I), whereas a slightly distorted chair conformation is formed in (II). The dihedral angle between the mean plane of the phenyl rings is 59.1 (1)° in (I) and 76.1 (1)° in (II). The crystal packing features weak intermolecular N—H...O hydrogen bonds in each structure.

scholarly journals 3-(2-Bromophenylsulfonyl)-5-cyclohexyl-2-methyl-1-benzofuran

2014 ◽  
Vol 70 (3) ◽  
pp. o324-o324 ◽  
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Short Distance ◽  
Crystal Packing ◽  
Chair Conformation ◽  
Π Interactions ◽  
Compound C ◽  
The Mean

In the title compound, C21H21BrO3S, the cyclohexyl ring adopts a chair conformation. The dihedral angle between the mean planes of the benzofuran and 2-bromophenyl fragments is 82.47 (5)°. In the crystal, molecules related by inversion are paired into dimersviaC—H...π and π–π interactions, the latter are indicated by the short distance of 3.607 (3) Å between the centroids of the furan rings. Intermolecular C—H...O hydrogen bonds and short Br...O [3.280 (1) Å] contacts further consolidate the crystal packing.

scholarly journals 1-(4-Chlorophenyl)-2-[4-hydroxy-3-(3-methoxybenzoyl)-1,1-dioxo-2H-1λ6,2-benzothiazin-2-yl]ethanone

2012 ◽  
Vol 68 (4) ◽  
pp. o1058-o1059
Author(s):  
Hamid Latif Siddiqui ◽  
Matloob Ahmad ◽  
Salman Gul ◽  
Chaudhary Muhammad Ashraf ◽  
Masood Parvez
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Crystal Packing ◽  
Chair Conformation ◽  
Thiazine Ring ◽  
The Mean ◽  
Title Molecule

In the title molecule, C24H18ClNO6S, the heterocyclic thiazine ring adopts a half-chair conformation with the S and N atoms displaced by 0.406 (5) and 0.444 (5) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The methoxybenzoyl and the chlorophenyl rings lie roughly parallel to each other, with a dihedral angle between the mean planes of these rings of 8.86 (10)°. The molecular structure is consolidated by intramolecular O—H...O and C—H...O interactions and the crystal packing is stabilized by intermolecular O—H...O and C—H...Cl hydrogen bonds.

scholarly journals Crystal structures of three 3-chloro-3-methyl-2,6-diarylpiperidin-4-ones

2017 ◽  
Vol 73 (2) ◽  
pp. 107-111 ◽  
Author(s):  
R. Arulraj ◽  
S. Sivakumar ◽  
Manpreet Kaur ◽  
A. Thiruvalluvar ◽  
Jerry P. Jasinski
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Phenyl Rings ◽  
The Mean

The syntheses and crystal structure of 3-chloro-3-methyl-r-2,c-6-diphenylpiperidin-4-one, C18H18ClNO, (I), 3-chloro-3-methyl-r-2,c-6-di-p-tolylpiperidin-4-one, C20H22ClNO, (II), and 3-chloro-3-methyl-r-2,c-6-bis(4-chlorophenyl)piperidin-4-one, C18H16Cl3NO, (III), are described. In each structure, the piperidine ring adopts a chair conformation and dihedral angles between the mean planes of the phenyl rings are 58.4 (2), 73.5 (5) and 78.6 (2)° in (I), (II) and (III), respectively. In the crystals, molecules are linked intoC(6) chains by weak N—H...O hydrogen bonds and C—H...π interactions are also observed.

scholarly journals 2-[2-(3-Chlorophenyl)-2-oxoethyl]-4-hydroxy-3-(3-methoxybenzoyl)-2H-1λ6,2-benzothiazine-1,1-dione

2012 ◽  
Vol 68 (4) ◽  
pp. o980-o981
Author(s):  
Hamid Latif Siddiqui ◽  
Matloob Ahmad ◽  
Salman Gul ◽  
Waseeq Ahmad Siddiqui ◽  
Masood Parvez
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Crystal Packing ◽  
Chair Conformation ◽  
Benzene Rings ◽  
Thiazine Ring ◽  
The Mean ◽  
Title Molecule

In the title molecule, C24H18ClNO6S, the heterocyclic thiazine ring adopts a half chair conformation with the S and N atoms displaced by 0.318 (3) and 0.387 (3) Å, respectively, on the opposite sides from the mean plane formed by the remaining ring atoms. The benzene rings of the benzothiazin unit and methoxybenzoyl group are more or less coplanar, the dihedral angle between the mean planes of these rings being 12.37 (10)° while the chlorophenyl ring is inclined at 81.87 (4) and 73.30 (5)°, respectively, to these rings. The molecular structure is consolidated by intramolecular O—H...O and C—H...N interactions and the crystal packing is stabilized by weak intermolecular C—H...O hydrogen bonds.

scholarly journals 3-[Hydroxy(3-methoxyphenyl)methylidene]-2-(2-oxo-2-phenylethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-1,1,4-trione

2012 ◽  
Vol 68 (4) ◽  
pp. o978-o979
Author(s):  
Hamid Latif Siddiqui ◽  
Matloob Ahmad ◽  
Salman Gul ◽  
Waseeq Ahmad Siddiqui ◽  
Masood Parvez
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Crystal Packing ◽  
Chair Conformation ◽  
Benzene Rings ◽  
Thiazine Ring ◽  
The Mean ◽  
Title Molecule

In the title molecule, C24H19NO6S, the heterocyclic thiazine ring adopts a half-chair conformation with the S and N atoms displaced by 0.180 (5) and 0.497 (5) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The benzene rings of the benzothiazine unit and the methoxyphenyl group are almost coplanar, with the dihedral angle between the mean planes of these rings being 5.9 (2)°, while the benzene ring of the 2-oxo-2-phenylethyl group is inclined at 79.68 (11) and 81.01 (10)°, respectively, to these rings. The molecular structure is consolidated by intramolecular O—H...O and C—H...N interactions, and the crystal packing is stabilized by weak C—H...O hydrogen bonds.

scholarly journals 4-Acetylpiperazinium picrate

2014 ◽  
Vol 70 (6) ◽  
pp. o717-o718 ◽  
Author(s):  
Channappa N. Kavitha ◽  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
Hemmige S. Yathirajan
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Intermolecular Interactions ◽  
Crystal Packing ◽  
Chair Conformation ◽  
Centroid Distance ◽  
Sheet Structure ◽  
Benzene Rings ◽  
Π Stacking Interaction ◽  
The Mean

In the title salt, C6H13N2O+·C6H2N3O7−(systematic name: 4-acetylpiperazin-1-ium 2,4,6-trinitrophenolate), the piperazin-1-ium ring has a slightly distorted chair conformation. In the picrate anion, the mean planes of the twoo-NO2andp-NO2groups are twisted with respect to the benzene ring by 15.0 (2), 68.9 (4) and 4.4 (3)°, respectively. In the crystal, N—H...O hydrogen bonds are observed, linking the ions into an infinite chain along [010]. In addition, weak cation–anion C—H...O intermolecular interactions and a weak π–π stacking interaction between the benzene rings of the anions, with an inter-centroid distance of 3.771 (8) Å, help to stabilize the crystal packing, giving an overall sheet structure lying parallel to (100). Disorder was modelled for one of the O atoms in one of theo-NO2groups over two sites with an occupancy ratio of 0.57 (6):0.43 (6).

scholarly journals 3-(4-Fluorobenzoyl)-4-(4-fluorophenyl)-4-hydroxy-2,6-diphenylcyclohexane-1,1-dicarbonitrile

2014 ◽  
Vol 70 (6) ◽  
pp. o736-o737
Author(s):  
B. Narayana ◽  
M Sapnakumari ◽  
Balladka K. Sarojini ◽  
Jerry P. Jasinski
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Compound C ◽  
Phenyl Rings ◽  
Ring Motif

In the title compound, C33H24F2N2O2, the cyclohexane ring adopts a slightly distorted chair conformation. The dihedral angle between the planes of the phenyl rings is 71.80 (9)°, while the planes of the fluorophenyl and fluorobenzoyl rings are inclined to one another by 31.04 (10)°. The dihedral angles between the planes of the phenyl ring adjacent to the 4-hydroxy group and those of the the fluorophenyl and fluorobenzoyl rings are 51.64 (10) and 34.31 (10)°, respectively, while the corresponding angles for the phenyl ring adjacent to the 3-(4-fluorobenzoyl) group are 57.51 (9) and 85.02 (10)°, respectively. An intramolecular O—H...O hydrogen bond generates anS(6) ring motif. In the crystal, molecules are linkedviapairs of O—H...N hydrogen bonds, forming inversion dimers. The dimers are linkedviaC—H...N and C—H...O hydrogen bonds, forming chains along thec-axis direction. C—H...F hydrogen bonds link the chains into sheets lying parallel to thebcplane.

N-(4-Nitrophenyl)-N′-phenylsuccinamide

2007 ◽  
Vol 63 (11) ◽  
pp. o4367-o4367
Author(s):  
Ray J. Butcher ◽  
Jerry P. Jasinski ◽  
H. J. Ravindra ◽  
S. M. Dharmaprakash
Keyword(s):  
Dihedral Angle ◽  
Harmonic Generation ◽  
Title Compound ◽  
Phenyl Ring ◽  
Nonlinear Optical ◽  
Crystal Packing ◽  
Second Harmonic ◽  
Compound C ◽  
Phenyl Rings ◽  
The Mean

In the title compound, C16H15N3O4, the dihedral angle between the two benzene ring is 16.66 (6)°. The molecule crystallizes in a centrosymmetric space group and hence does not exhibit nonlinear optical second harmonic generation properties. The angle between the mean plane of the 4-nitrophenyl group and the adjacent NCO group is 26.2 (8)°, while the angle between the mean plane of the phenyl ring and its adjacent NCO group is 40.8 (5)°. The dihedral angle between the two NCO groups is 5.2 (3)°. The crystal packing is stabilized by intramolecular C—H...O and intermolecular N—H...O interactions, which link the molecules into chains along the b axis in the bc plane, with the phenyl rings arranged oblique to this plane.

scholarly journals Diethyl 4-(biphenyl-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

2014 ◽  
Vol 70 (7) ◽  
pp. o791-o792 ◽  
Author(s):  
Scott A. Steiger ◽  
Anthony J. Monacelli ◽  
Chun Li ◽  
Janet L. Hunting ◽  
Nicholas R. Natale
Keyword(s):  
Hydrogen Bonds ◽  
Intermolecular Interaction ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings ◽  
Dihydropyridine Ring

The title compound, C25H27NO4, has a flattened dihydropyridine ring. The benzene and phenyl rings are synclinal to one another, forming a dihedral angle of 49.82 (8)°; the axis of the biphenyl rings makes an 81.05 (9)° angle to the plane of the dihydropyridine ring. In the crystal, N—H...O hydrogen bonds link the molecules into chain motifs running along thea-axis direction. The chains are cross-linked by C—H...O interactions, forming sheet motifs running slightly off the (110) plane, together with an intermolecular interaction between head-to tail biphenyl groups, thus making the whole crystal packing a three-dimensional network. Intramolecular C—H...O hydrogen bonds are also observed.

scholarly journals 1-[4-(4-Hydroxyphenyl)piperazin-1-yl]ethanone

2013 ◽  
Vol 69 (11) ◽  
pp. o1671-o1671 ◽  
Author(s):  
Channappa N. Kavitha ◽  
Jerry P. Jasinski ◽  
Brian J. Anderson ◽  
H. S. Yathirajan ◽  
Manpreet Kaur
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Piperazine Ring ◽  
Compound C ◽  
Acetyl Group ◽  
The Mean

In the title compound, C12H16N2O2, the piperazine ring has a chair conformation. The dihedral angle between the mean planes of the benzene ring and the acetyl group is 48.7 (1)°. In the crystal, molecules are linkedviaO—H...O hydrogen bonds, forming chains propagating along [010].

Sign in / Sign up

Export Citation Format

Share Document