scholarly journals 2-Bromo-2-methyl-1-[4-(methylsulfanyl)phenyl]propan-1-one

2012 ◽  
Vol 68 (6) ◽  
pp. o1759-o1759
Author(s):  
Fei Liu ◽  
Shi-Ying Ren ◽  
Wei-Ji Yang
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Maximum Deviation ◽  
Compound C ◽  
Planar Conformation ◽  
Ring Motif

In the title compound, C11H13BrOS, the thioether unit and the phenyl ring adopt an essentially planar conformation, with a maximum deviation of 0.063 Å. In the crystal, molecules are linked by C—H...O hydrogen bonds, extending in zigzag chains along the b axis. A weak intramolecular C—H...Br hydrogen bond is also observed, which forms an S(6) ring motif.

scholarly journals 3-Acetyl-1-(3-methylphenyl)thiourea

2012 ◽  
Vol 68 (8) ◽  
pp. o2574-o2574 ◽  
Author(s):  
B. Thimme Gowda ◽  
Sabine Foro ◽  
Sharatha Kumar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Side Chain ◽  
Maximum Deviation ◽  
Methyl Groups ◽  
Compound C ◽  
Ring Motif

In the crystal structure of the title compound, C10H12N2OS, the conformation of the two N—H bonds areantito each other. The amide C=O and the C=S are are alsoantito each other. The N—H bond adjacent to the benzene ring issynto them-methyl groups. The dihedral angle between the benzene ring and the side chain [mean plane of atoms C—C(O)N—C—N; maximum deviation 0.029 (2) Å] is 14.30 (7)°. There is an intramolecular N—H...O hydrogen bond generating anS(6) ring motif. In the crystal, the molecules are linkedviaN—H...) hydrogen bonds, forming chains propagating along [001]. The S atom is disordered and was refined using a split model [occupancy ratio 0.56 (4):0.44 (4)].

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.

scholarly journals Crystal structure of ethyl 6-bromo-2-[(E)-2-phenylethenyl]quinoline-4-carboxylate

2015 ◽  
Vol 71 (2) ◽  
pp. o121-o121 ◽  
Author(s):  
T. O. Shrungesh Kumar ◽  
S. Naveen ◽  
M. N. Kumara ◽  
K. M. Mahadevan ◽  
N. K. Lokanath
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Ethynyl Group ◽  
Bond Forming ◽  
Compound C ◽  
Ring Motif

In the title compound, C20H16BrNO2, the dihedral angle between the quinolone ring system mean plane (r.m.s. deviation = 0.018 Å) and the phenyl ring bridged by the ethynyl group, is 25.44 (14)°. There is an intramolecular C—H...O hydrogen bond forming anS(6) ring motif. In the crystal, molecules are linkedviaC—H...O hydrogen bonds forming chains propagating along theb-axis direction.

scholarly journals 5-Hydroxy-2-phenyl-7-(prop-2-yn-1-yloxy)-4H-chromen-4-one

IUCrData ◽  
2017 ◽  
Vol 2 (4) ◽  
Author(s):  
Fan Yang ◽  
Yang Li ◽  
Shu-Jing Zhou
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Maximum Deviation ◽  
Supramolecular Network ◽  
Stacking Interactions ◽  
Compound C

In the title compound, C18H12O4, the essentially planar chromenone ring system [the maximum deviation = 0.016 (2) Å] is nearly co-planar with the phenyl ring [dihedral angle = 3.85 (8)°]. An intramolecular O—H...O hydrogen bond occurs. In the crystal, weak C—H...O hydrogen bonds and π–π stacking interactions link the molecules into a three-dimensional supramolecular network.

scholarly journals Methyl 4-(4-bromoanilino)-2′,5-dioxo-5H-spiro[furan-2,3′-indoline]-3-carboxylate

2014 ◽  
Vol 70 (2) ◽  
pp. o210-o211 ◽  
Author(s):  
Rajeswari Gangadharan ◽  
Selvarangam E. Kiruthika ◽  
K. Sethusankar ◽  
P. T. Perumal
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Furan Ring ◽  
Maximum Deviation ◽  
Compound C ◽  
Ring Motif

In the title compound, C19H13BrN2O5, the spiro furan ring is almost planar with a maximum deviation of 0.034 (2) Å. The indole unit and the furan ring are normal to each other, making a dihedral angle of 87.82 (8) °. The molecular structure is stabilized by an intramolecular N—H...O hydrogen bond, which generates anS(6) ring motif. In the crystal, molecules are linkedviapairs of N—H...O hydrogen bonds, forming inversion dimers enclosingR22(8) ring motifs.

scholarly journals Ethyl 4-anilino-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate

2013 ◽  
Vol 69 (12) ◽  
pp. o1757-o1758 ◽  
Author(s):  
Mehmet Akkurt ◽  
Shaaban K. Mohamed ◽  
Mahmoud A. A. Elremaily ◽  
Francisco Santoyo-Gonzalez ◽  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Pyrrole Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Ring Motif

In the title compound, C20H20N2O3, the central 2,5-dihydro-1H-pyrrole ring [r.m.s. deviation = 0.014 (1) Å] is oriented at dihedral angles of 77.81 (6) and 25.33 (6)°, respectively, to the attached phenyl ring and the aniline phenyl ring. An intramolecular N—H...O hydrogen bond occurs. In the crystal, molecules are linked through pairs of N—H...O hydrogen bonds, forming inversion dimers with anR22(10) ring motif. Two weak C—H...π interactions are also observed.

scholarly journals Crystal structure of (Z)-N′-[1-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)propyl]benzenesulfonohydrazide

2015 ◽  
Vol 71 (5) ◽  
pp. 487-489
Author(s):  
Chuan-Chuan He ◽  
Guan-Cheng Xu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Keto Form ◽  
Short Contact ◽  
Compound C ◽  
Ring Motif

The title compound, C19H20N4O3S, was synthesized by refluxing equimolar amounts of 1-phenyl-3-methyl-4-propionylpyrazol-5-one and benzenesulfonyl hydrazide in ethanol. The compound crystallizes in the keto form and the carbonyl O atom forms an intramolecular N—H...O hydrogen bond with the neighbouring NH group. There is also C—H...O short contact involving the neighbouring phenyl ring. Probably as a result of this, the phenyl ring is inclined to the pyrazolone ring by only 7.58 (12)°. The dihedral angle between the phenyl ring and the benzenesulfonyl ring is 22.78 (11)°. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with anR22(14) ring motif. The dimers are linkedviapairs of C—H...O hydrogen bonds, forming chains propagating along [100].

scholarly journals Crystal structure of (2S,4R)-ethyl 4-nitromethyl-1-[(S)-1-phenylethyl]-6-sulfanylidenepiperidine-2-carboxylate

2015 ◽  
Vol 71 (1) ◽  
pp. o41-o42
Author(s):  
Araceli Zárate ◽  
David Aparicio ◽  
Angel Palillero ◽  
Angel Mendoza
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Carboxy Group ◽  
Title Compound ◽  
Phenyl Ring ◽  
Piperidine Ring ◽  
Maximum Deviation ◽  
Compound C ◽  
The Mean

In the title compound, C17H22N2O4S, a thiopiperidine derivative, the piperidine ring has an envelope conformation with the methylene C atom opposite to the C=S bond as the flap. The nitromethyl substituent is equatorial while the ethoxycarbonyl group is axial. The mean planes of the nitromethyl group, the carboxy group and phenyl ring are inclined to the mean plane through the five planar atoms of the piperidine ring [maximum deviation = 0.070 (4) Å] by 56.8 (2), 83.8 (5) and 87.1 (2)°, respectively. There is an intramolecular C—H...O hydrogen bond involving an H atom of the ethoxycarbonyl group and a nitro O atom. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming chains along [100]. The chains are linked by further C—H...O hydrogen bonds, forming corrugated layers lying parallel to (001).

scholarly journals N-(2,6-Dimethylphenyl)-N′-propanoylthiourea

2012 ◽  
Vol 68 (4) ◽  
pp. o982-o982 ◽  
Author(s):  
Mohd Sukeri Mohd Yusof ◽  
Siti Fatimah Abdul Mutalib ◽  
Suhana Arshad ◽  
Ibrahim Abdul Razak
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Maximum Deviation ◽  
Compound C ◽  
Centrosymmetric Dimers ◽  
Ring Motif

In the title compound, C12H16N2OS, an intramolecular N—H...O hydrogen bond forms anS(6) ring motif. The propionylthiourea group is approximately planar [with a maximum deviation of 0.135 (2) Å] and forms a dihedral angle of 83.39 (7)° with the benzene ring. In the crystal, molecules are linked by pairs of N—H...S hydrogen bonds, forming centrosymmetric dimers and generatingR22(8) ring motifs.

scholarly journals Crystal structure of 2-methyl-N-{[2-(pyridin-2-yl)ethyl]carbamothioyl}benzamide

2015 ◽  
Vol 71 (9) ◽  
pp. o636-o636
Author(s):  
Nadiah Ameram ◽  
Farook Adam
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Thiourea Derivative ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Ring Motif

In the title compound, C16H17N3OS, a benzoyl thiourea derivative, the planes of the pyridine and benzene rings are inclined to one another by 66.54 (9)°. There is an intramolecular N—H...O hydrogen bond present forming anS(6) ring motif. In the crystal, molecules are linkedviapairs of N—H...N hydrogen bonds, forming inversion dimers, which are reinforced by pairs of C—H...S hydrogen bonds. The dimers are linkedviaC—H...π interactions, forming ribbons along [010].

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