scholarly journals {2-[(4-Nitrobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone

2014 ◽  
Vol 70 (6) ◽  
pp. o738-o739 ◽  
Author(s):  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
Channappa N. Kavitha ◽  
H. S. Yathirajan ◽  
K. Byrappa
Keyword(s):  
Title Compound ◽  
Thiophene Ring ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Benzoyl Group ◽  
Phenyl Rings ◽  
The Mean

In the title compound, C22H18N2O3S, disorder is found in the benzoyl group (AandB), as well as for four C atoms of the cyclohexene ring. Two orientations were modeled in a 0.583 (5):0.417 (5) ratio. The cyclohexene ring is in a distorted chair conformation. The dihedral angles between the mean plane of the thiophene ring and the 4-nitrobenzene and phenyl rings are 30.9 (8) and 64.8 (3) (A) and 62.4 (7)° (B). The mean planes of the 4-nitrobenzene and the phenyl rings are almost perpendicular to each other, with dihedral angles of 85.4 (1) (A) and 83.9 (8)° (B). An extensive array of weak C—H...O interactions consolidate molecules into a three-dimensional architecture, forming chains along [001] and [010] and layers parallel to (011).

scholarly journals [2-(Benzylideneamino)-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl](phenyl)methanone

2014 ◽  
Vol 70 (5) ◽  
pp. o507-o508 ◽  
Author(s):  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
Channappa N. Kavitha ◽  
Hemmige S. Yathirajan ◽  
K. Byrappa
Keyword(s):  
Title Compound ◽  
Thiophene Ring ◽  
Chair Conformation ◽  
Ring System ◽  
Dihedral Angles ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Phenyl Rings ◽  
The Mean

In the title compound, C22H19NOS, the cyclohexene ring of the tetrahydrobenzothiophenyl ring system adopts a slightly distorted half-chair conformation and is twisted slightly [7.5 (8)° for the major disorder component] from the mean plane of the thiophene ring. The dihedral angles between the mean planes of the thiophene ring and the phenyl rings are 65.7 (3) and 8.3 (4)°. The phenyl rings are twisted with respect to each other by 73.8 (7)°. Disorder was modeled for four C atoms of the cyclohexene ring over two sets of sites with an occupancy ratio of 0.659 (2):0.341 (2). In the crystal, a single weak C—H...O interaction links the molecules into [001] chains.

scholarly journals {2-[(2-Bromo-5-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl}(phenyl)methanone

2014 ◽  
Vol 70 (5) ◽  
pp. o581-o582 ◽  
Author(s):  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
Thammarse S. Yamuna ◽  
H. S. Yathirajan ◽  
K. Byrappa
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Thiophene Ring ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Phenyl Rings ◽  
The Mean

In the title compound, C23H20BrNO2S, disorder was modeled for the outer two C atoms of the cyclohexene ring over two sets of sites with an occupancy ratio of 0.580 (11):0.420 (11). Both rings have a half-chair conformation. The dihedral angles between the mean plane of the thiophene ring and the benzene and phenyl rings are 9.2 (2) and 66.1 (2)°, respectively. The benzene and phenyl rings are inclined to each other by 74.8 (8)°. In the crystal, molecules are linked by pairs of C—H...O hydrogen bonds, forming inversion dimers.

scholarly journals {2-[(2-Hydroxybenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone

2014 ◽  
Vol 70 (4) ◽  
pp. o476-o477 ◽  
Author(s):  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
Channappa N. Kavitha ◽  
H.S. Yathirajan ◽  
K. Byrappa
Keyword(s):  
Hydrogen Bond ◽  
Title Compound ◽  
Thiophene Ring ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Compound C ◽  
Cyclohexene Ring ◽  
The Mean

In the title compound, C22H19NO2S, the cyclohexene ring adopts a slightly distorted half-chair conformation. The dihedral angles between the mean planes of the thiophene ring and the phenyl and 2-hydroxyphenyl rings are 70.4 (5) and 12.1 (9)°, respectively. The phenyl and 2-hydroxyphenyl rings are twisted with respect to one another by 81.0 (6)°. A short intramolecular O—H...N hydrogen bond is observed. In the crystal, weak C—H...O interactions link the molecules into zigzag chains diagonally along [100] .

scholarly journals N-[(1-Benzoylpiperidin-4-yl)methyl]benzamide

2014 ◽  
Vol 70 (7) ◽  
pp. o771-o771 ◽  
Author(s):  
K. Prathebha ◽  
D. Reuben Jonathan ◽  
Sathya Shanmugam ◽  
G. Usha
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Dihedral Angles ◽  
Supramolecular Network ◽  
Compound C ◽  
Phenyl Rings ◽  
The Mean

In the title compound, C20H22N2O2, the piperidine ring adopts a chair conformation. The phenyl rings are inclined to one another by 80.1 (1)° and make dihedral angles of 46.1 (1) and 40.2 (1)° with the mean plane of the piperidine ring. In the crystal, pairs of N—H...O hydrogen bonds link the molecules into inversion dimers. C—H...O interactions further link the molecules, forming a three-dimensional supramolecular network.

scholarly journals Crystal structure of 3-benzoyl-2-[(5-bromo-2-hydroxy-3-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene

2015 ◽  
Vol 71 (2) ◽  
pp. 176-179
Author(s):  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
H. S. Yathirajan ◽  
Christopher Glidewell ◽  
K. Byrappa
Keyword(s):  
Thiophene Ring ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Minor Components ◽  
Bond Forming ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Phenyl Rings ◽  
The Mean ◽  
Ring Motif

In the cyclohexene ring of the title compound, C23H20BrNO3S, the –(CH2)4– atoms are positionally disordered [occupancy ratio = 0.753 (6):0.247 (6)]. The ring has a half-chair conformation for both the major and minor components. The dihedral angles between the mean plane of the thiophene ring and those of the benzene and phenyl rings are 35.2 (4) and 57.7 (3)°, respectively. The planes of the two aryl rings are twisted with respect to each other by 86.4 (6)°. In the molecule, there is an O—H...N hydrogen bond forming anS(6) ring motif. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, forming chains parallel to [100].

scholarly journals Crystal structure ofN-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

2014 ◽  
Vol 70 (9) ◽  
pp. o951-o952 ◽  
Author(s):  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
H. S. Yathirajan ◽  
Thammarse S. Yamuna ◽  
K. Byrappa
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Thiophene Ring ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Benzene Rings

In the title compound, C22H19NO2S, the cyclohexene ring adopts a half-chair conformation. The dihedral angles between the plane of the thiophene ring and those of its amide- and carbonyl-bonded benzene rings are 7.1 (1) and 59.0 (2)°, respectively. An intramolecular N—H...O hydrogen bond generates anS(6) ring. In the crystal, very weak aromatic π–π stacking interactions [centroid–centroid separation = 3.9009 (10) Å] are observed.

scholarly journals Crystal structure of (E)-N-(3,3-diphenylallylidene)-9-ethyl-9H-carbazol-3-amine

2015 ◽  
Vol 71 (4) ◽  
pp. 418-420 ◽  
Author(s):  
Kannan Thirumurthy ◽  
Ganesamoorthy Thirunarayanan ◽  
S. Murugavel
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dihedral Angles ◽  
Supramolecular Network ◽  
Imine Group ◽  
Compound C ◽  
Phenyl Rings ◽  
The Mean

In the title compound, C29H24N2, the C=N bond of the central imine group adopts anEconformation. The dihedral angles between the mean plane of the essentially planar carbazole ring system [r.m.s. deviation = 0.039 (2) Å] and the two phenyl rings of the 3,3-diphenylallylidene unit are 75.9 (1) and 64.6 (1)°. In the crystal, molecules are linked by C—H...π interactions, forming a three-dimensional supramolecular network.

scholarly journals Crystal structure and theoretical study of (2E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-(thiophen-2-yl)prop-2-en-1-one

2018 ◽  
Vol 74 (7) ◽  
pp. 960-963 ◽  
Author(s):  
Fatma Yesilyurt ◽  
Abdullah Aydin ◽  
Halise Inci Gul ◽  
Mehmet Akkurt ◽  
Nefise Dilek Ozcelik
Keyword(s):  
Molecular Conformation ◽  
Theoretical Study ◽  
Thiophene Ring ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean ◽  
Morpholine Ring

In the title compound, C18H19NO3S, the morpholine ring adopts a chair conformation. The thiophene ring forms dihedral angles of 26.04 (9) and 74.07 (10)° with the benzene ring and the mean plane of the morpholine ring, respectively. The molecular conformation is stabilized by an O—H...N hydrogen bond. In the crystal, molecules are connected through C—H...O hydrogen bonds, forming wave-like layers parallel to the ab plane, which are further linked into a three-dimensional network by C—H...π interactions involving the benzene rings and the methylene H atoms of the morpholine rings.

scholarly journals Crystal structure and Hirshfeld surface analysis of 6-benzoyl-3,5-diphenylcyclohex-2-en-1-one

2020 ◽  
Vol 76 (5) ◽  
pp. 720-723
Author(s):  
Farid N. Naghiyev ◽  
Mehmet Akkurt ◽  
Rizvan K. Askerov ◽  
Ibrahim G. Mamedov ◽  
Rovnag M. Rzayev ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network ◽  
Benzoyl Group ◽  
Phenyl Rings ◽  
The Mean

In the title compound, C25H20O2, the central cyclohexenone ring adopts an envelope conformation. The mean plane of the cyclohexenone ring makes dihedral angles of 87.66 (11) and 23.76 (12)°, respectively, with the two attached phenyl rings, while it is inclined by 69.55 (11)° to the phenyl ring of the benzoyl group. In the crystal, the molecules are linked by C—H...O and C—H...π interactions, forming a three-dimensional network.

scholarly journals (E)-3-Isopropyl-1-methyl-2,6-diphenylpiperidin-4-oneO-nicotinoyl oxime

2014 ◽  
Vol 70 (5) ◽  
pp. o551-o551 ◽  
Author(s):  
T. Vinuchakkaravarthy ◽  
R. Sivakumar ◽  
T. Srinivasan ◽  
V. Thanikachalam ◽  
D. Velmurugan
Keyword(s):  
Title Compound ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Equatorial Orientation ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings ◽  
The Mean

In the title compound, C27H29N3O2, the piperidine ring exists in a chair conformation with an equatorial orientation of the phenyl and methyl substituents. The C—C=N bond angles are significantly different [119.1 (2) and 127.2 (2)°]. The phenyl rings are inclined to one another by 44.90 (14)°, and by 80.85 (13) and 79.62 (12)° to the mean plane of the piperidine ring. The terminal pyridine ring is inclined to the piperidine ring mean plane by 74.79 (15)°. In the crystal, molecules are linked by C—H...π interactions, forming a three-dimensional network.

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