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 {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 Crystal structure of (E)-4-{[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl}-3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole

2014 ◽  
Vol 70 (12) ◽  
pp. o1246-o1247 ◽  
Author(s):  
Joel T. Mague ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Hussein M. S. El-Kashef ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Extended Conformation ◽  
Compound C ◽  
Benzene Rings

The title compound, C21H17N7O4, is in an `extended' conformation aided by an intramolecular N—H...O hydrogen bond. The pyrazole ring makes dihedral angles of 29.17 (6), 65.47 (4) and 9.91 (7)°, respectively, with the phenyl, pyrrole and benzene rings. In the crystal, molecules are connected by pairs of N—H...O and C—H...O hydrogen bonds, forming inversion dimers which associate into ribbons running along thebaxis through complementary C—H...O interactions.

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 Crystal structure of 5-(4-benzyloxyphenyl)-3-(4-methoxyphenyl)-6-methylcyclohex-2-en-1-one

2015 ◽  
Vol 71 (1) ◽  
pp. 16-18
Author(s):  
S. Sathya ◽  
D. Reuben Jonathan ◽  
J. Sidharthan ◽  
R. Vasanthi ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Benzene Rings ◽  
Independent Molecules

The title compound, C27H26O3, crystallized with two independent molecules (AandB) in the asymmetric unit. In moleculeA, the plane of the central benzene ring forms dihedral angles of 75.78 (14) and 52.75 (16)° with that of the terminal benzene rings, and the dihedral angle between the planes of the terminal benzene rings is 51.49 (17)°. The corresponding values for moleculeBare 75.18 (14), 58.11 (16) and 47.91 (16)°, respectively. The cyclohexene ring adopts an envelope conformation in both molecules, with the C atom to which is attached the central benzene ring as the flap. The crystal packing, is stabilized by C—H...π interactions.

scholarly journals Crystal structure of (Z)-3-[5-chloro-2-(prop-2-ynyloxy)phenyl]-3-hydroxy-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one

2015 ◽  
Vol 71 (8) ◽  
pp. o556-o557
Author(s):  
Aarti Dalal ◽  
Ramesh C. Kamboj ◽  
Dinesh Kumar ◽  
Mahendra Kumar Sharma ◽  
Nagendran Selvarajan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Double Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Photochemical Transformation ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings

The title compound, C19H12ClF3O3, obtained by the photochemical transformation of 2-[5-chloro-2-(prop-2-ynyloxy)benzoyl]-3-[4-(trifluoromethyl)phenyl]oxirane adopts aZconformation with respect to the enolic C=C double bond. The dihedral angle between the benzene rings is 12.25 (16)° and an intramolecular O—H...O hydrogen bond closes anS(6) ring. An intramolecular C—H...O interaction also leads to anS(6) ring. In the crystal, very weak C—H...O interactions and short Cl...Cl contacts [3.3221 (16) Å] are seen, as well as weak aromatic π–π stacking interactions [centroid–centroid separation = 3.879 (2) Å].

scholarly journals N-[(2-Chlorophenyl)sulfonyl]-2-methoxybenzamide

2013 ◽  
Vol 69 (11) ◽  
pp. o1716-o1716
Author(s):  
S. Sreenivasa ◽  
B. S. Palakshamurthy ◽  
E Suresha ◽  
J. Tonannavar ◽  
Yenagi Jayashree ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Ring Motif

The title compound, C14H12ClNO4S, crystallizes with two molecules in the asymmetric unit. The dihedral angles between the benzene rings are 89.68 (1) (molecule 1) and 82.9 (1)° (molecule 2). In each molecule, intramolecular N—H...O hydrogen bonds between the amide H atom and the methoxy O atom generateS(6) loops. In the crystal, molecule 2 is linked into inversion dimers through pairs of C—H...O interactions, forming anR22(8) ring motif. Molecules 1 and 2 are further linked along theb-axis direction through C—H...π interactions. The crystal structure is further stabilized by several π–π stacking interactions [centroid–centroid separations = 3.7793 (1), 3.6697 (1) and 3.6958 (1) Å], thus generating a three-dimensional architecture.

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 Crystal structure of 3-chloro-N-(2-nitrophenyl)benzamide

2015 ◽  
Vol 71 (9) ◽  
pp. o674-o674
Author(s):  
Rodolfo Moreno-Fuquen ◽  
Alexis Azcárate ◽  
Alan R. Kennedy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean ◽  
Amide Fragment ◽  
Short Contacts

In the title compound, C13H9ClN2O3, the mean plane of the central amide fragment (r.m.s. deviation = 0.016 Å) subtends dihedral angles of 15.2 (2) and 8.2 (2)° with the chloro- and nitro-substituted benzene rings, respectively. An intramolecular N—H...O hydrogen bond generates anS(6) ring. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, formingC(7) chains which propagate along [010], but no Cl...Cl short contacts are observed.

scholarly journals 4-[(5-Bromo-2-hydroxybenzylidene)amino]-3-propyl-1H-1,2,4-triazole-5(4H)-thione

2012 ◽  
Vol 68 (6) ◽  
pp. o1674-o1674 ◽  
Author(s):  
Xin Wu ◽  
Cai-Xia Yuan ◽  
Ling Ma ◽  
Kai-Lu Zhai ◽  
Miao-Li Zhu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C12H13BrN4OS, contains two independent molecules in which the dihedral angles between the triazole and benzene rings are 2.9 (3) and 7.5 (3)°. The thione group is of the form R 2C=S. An intramolecular O—H...N hydrogen bond occurs in each molecule. The crystal structure features weak N—H...S interactions and π–π stacking of the benzene rings [centroid–centroid distance = 3.667 (3) Å].

scholarly journals 2-[5-(2-Methylphenyl)-3-(2-methylstyryl)-4,5-dihydro-1H-pyrazol-1-yl]-6-(thiophen-2-yl)-4-(trifluoromethyl)pyrimidine chloroform monosolvate

2014 ◽  
Vol 70 (7) ◽  
pp. o789-o790 ◽  
Author(s):  
Alex Fabiani Claro Flores ◽  
Darlene Correia Flores ◽  
Juliano Rosa de Menezes Vicenti ◽  
Patrick Teixeira Campos
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Pyrimidine Ring ◽  
Dihedral Angles ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Benzene Rings

In the crystal structure of the title compound, C28H23F3N4S·CHCl3, the chloroform solvate molecules connect the pyrimidine molecules into chains along [101] through weak C—H...N and C—H...Cl hydrogen-bond interactions. There are further connections between adjacent chains through F...Cl halogen contacts of 3.185 (3) Å, with the –CF3group presenting a significant short F...F interchain distance of 2.712 (4) Å. The five-membered pyrazole ring is approximately planar (r.m.s. deviation = 0.050 Å). The pyrimidine ring makes dihedral angles of 84.15 (8) and 4.56 (8)° with the benzene rings.

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