scholarly journals 4-(2-Fluorophenyl)-2-methoxy-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

2014 ◽  
Vol 70 (8) ◽  
pp. o872-o872 ◽  
Author(s):  
R. Vishnupriya ◽  
J. Suresh ◽  
S. Maharani ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Pyridine Ring ◽  
Van Der Waals ◽  
Chair Conformation ◽  
Compound C ◽  
Twisted Boat ◽  
Van Der Waals Contacts

In the title compound, C19H19FN2O, the cyclooctene ring adopts a twisted boat–chair conformation. The dihedral angle between the plane of the fluorophenyl substituent and that of the pyridine ring is 76.39 (8)°. The F andortho-H atoms of the fluorobenzene ring are disordered, with occupancy factors of 0.226 (5) and 0.774 (5). In the crystal, no significant interactions are observed between the molecules beyond van der Waals contacts.

scholarly journals (7,8-Dimethyl-2-oxo-2H-chromen-4-yl)methyl piperidine-1-carbodithioate

IUCrData ◽  
2016 ◽  
Vol 1 (2) ◽  
Author(s):  
A. J. Ravi ◽  
K. Mahesh Kumar ◽  
H. C. Devarajegowda
Keyword(s):  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Van Der Waals ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Maximum Deviation ◽  
Compound C ◽  
Van Der Waals Contacts ◽  
Chromene Ring

In the title compound, C18H21NO2S2, the 2H-chromene ring systems is nearly planar, with a maximum deviation of 0.023 (2) Å. The coumarin unit makes a dihedral angle of 60.54 (8)° with the piperidine ring, which adopts a chair conformation. The carbodithioate group is present in a synperiplanar conformation with respect to the piperidine ring, as indicated by the torsion angle of −4.7 (2)°. A short intramolecular C—H...S conatct generates anS(5) ring. No directional interactions beyond van der Waals contacts could be identified in the crystal.

scholarly journals 2-Methoxy-4-(2-methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

2014 ◽  
Vol 70 (6) ◽  
pp. o656-o656 ◽  
Author(s):  
R. Vishnupriya ◽  
J. Suresh ◽  
S. Maharani ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyridine Ring ◽  
Chair Conformation ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Twisted Boat

In the title compound, C20H22N2O2, the central pyridine ring forms a dihedral angle of 76.32 (8)° with the pseudo-axial benzene ring. The cyclooctane ring adopts a twisted boat chair conformation. In the crystal, weak intermolecular C—H...π interactions between inversion-related molecules result in the formation of linear double chains along theb-axis direction.

scholarly journals N-Cyclohexyl-N-{[3-(4,6-dimethoxypyrimidin-2-yloxy)pyridin-2-yl]methyl}4,6-dimethoxypyrimidin-2-amine

2012 ◽  
Vol 68 (4) ◽  
pp. o1272-o1272
Author(s):  
De-Cai Wang ◽  
Yu-Jing Wang ◽  
Jun-Song Song ◽  
Ping Wei ◽  
Ping-Kai Ou-yang
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Pyridine Ring ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Stacking Interaction ◽  
Compound C ◽  
Π Stacking ◽  
Π Stacking Interaction

In the title compound, C24H30N6O5, the cyclohexyl ring adopts a chair conformation, while the remainder of the molecule adopts a U-shape. The dihedral angles between the pyridine ring and the pendant pyrimidine rings are 69.04 (12) and 75.99 (9)°. The two pyrimidine rings, however, are nearly parallel to one another, with a dihedral angle of 8.56 (15)° between them. They are also involved in an intramolecular π–π stacking interaction with a distance of 3.6627 (18) Å between the ring centroids. In the crystal, C—H...O contacts link the molecules into chains along thebaxis.

scholarly journals Crystal structure of (E)-1-(2-nitrobenzylidene)-2,2-diphenylhydrazine

2014 ◽  
Vol 70 (9) ◽  
pp. o909-o910 ◽  
Author(s):  
Marcos Flores-Alamo ◽  
Ruth Meléndrez-Luévano ◽  
José A. Ortiz Márquez ◽  
Estibaliz Sansinenea Royano ◽  
Blanca M. Cabrera-Vivas
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Van Der Waals ◽  
Compound C ◽  
Phenyl Rings ◽  
Imine Bond ◽  
Van Der Waals Contacts

The title compound, C19H15N3O2, shows anEconformation of the imine bond. The dihedral angle between the planes of the phenyl rings in the diphenylhydrazine groups is 88.52 (4)°. The 2-nitrobenzene ring shows a torsion angle of 10.17 (8)° with the C=N—N plane. A short intramolecular C—H...O contact occurs. In the crystal, only van der Waals contacts occur between the molecules.

scholarly journals Bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]amine

IUCrData ◽  
2016 ◽  
Vol 1 (3) ◽  
Author(s):  
Limin Wang ◽  
Shengpei Wang ◽  
Shenggao Liu
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Van Der Waals ◽  
Side Chains ◽  
Aromatic Rings ◽  
Compound C ◽  
Van Der Waals Contacts

In the title compound, C28H43N, the dihedral angle between the aromatic rings is 41.15 (12)° and both side chains exhibit extensive disorder. No directional interactions beyond van der Waals contacts could be identified in the crystal.

scholarly journals Ethyl (naphthalen-2-yloxy)acetate

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
S. Madan Kumar ◽  
N. Manju ◽  
Balakrishna Kalluraya ◽  
K. Byrappa ◽  
M. M. M. Abdoh
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Van Der Waals ◽  
Ring System ◽  
Side Chain ◽  
Extended Conformation ◽  
Compound C ◽  
Naphthyl Ring ◽  
Van Der Waals Contacts

In the title compound, C14H14O3, the dihedral angle between the naphthyl ring system and the side chain is 9.00 (14)°, and the ethoxy chain adopts an extended conformation [C—O—C—C = 176.0 (3)°]. There are no directional interactions in the crystal beyond normal van der Waals contacts.

scholarly journals 2-(Piperidin-1-yl)-6-(1H-pyrrol-1-yl)pyridine-3,5-dicarbonitrile

2012 ◽  
Vol 68 (4) ◽  
pp. o938-o938 ◽  
Author(s):  
Peter N. Horton ◽  
Shaaban K. Mohamed ◽  
Ahmed M. Soliman ◽  
Eman M. M. Abdel-Raheem ◽  
Mehmet Akkurt
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyridine Ring ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Maximum Deviation ◽  
Compound C ◽  
Π Stacking

The piperidine ring of the title compound, C16H15N5, adopts a chair conformation. The pyridine ring is essentially planar, with a maximum deviation of 0.035 (3) Å. The pyrrole and pyridine rings are almost coplanar, forming a dihedral angle of 3.48 (14)°. In the crystal, no classical hydrogen bonds were found. In the crystal, the molecules are linked by aromatic π–π stacking [centroid–centroid separations = 3.4984 (16) and 3.9641 (15) Å between pyrrole and pyridine rings and between pyridine rings, respectively].

scholarly journals Crystal structure of (4R,5S)-4-methyl-3-methylsulfinyl-5-phenyl-1,3-oxazolidin-2-one

2014 ◽  
Vol 70 (12) ◽  
pp. o1257-o1258 ◽  
Author(s):  
Gustavo Pozza Silveira ◽  
Vinicius Flores da Silva ◽  
Allen G. Oliver
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Van Der Waals ◽  
Phenyl Group ◽  
Methyl Group ◽  
Compound C ◽  
The Mean ◽  
Absolute Structure ◽  
Van Der Waals Contacts

The absolute structure of the chiral asymmetric indole precursor title compound, C11H13NO3S, was confirmed by refinement of the Flack and Hooft parameters and is that expected based on the starting materials for the synthesis. The phenyl group subtends a dihedral angle of 56.40 (5)° with the mean plane of the oxazolidinone ring, which adopts an envelope conformation, with the C atom bearing the methyl group as the flap. In the crystal, no significant directional interactions beyond van der Waals contacts are observed.

scholarly journals Crystal structure of 2,4-bis(2-chlorophenyl)-7-tert-pentyl-3-azabicyclo[3.3.1]nonan-9-one

2014 ◽  
Vol 70 (11) ◽  
pp. o1161-o1162
Author(s):  
Dong Ho Park ◽  
V. Ramkumar ◽  
P. Parthiban
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Crystal Packing ◽  
Van Der Waals ◽  
Chair Conformation ◽  
Equatorial Orientation ◽  
Equatorial Position ◽  
Acta Cryst ◽  
Compound C ◽  
Van Der Waals Contacts

The title compound, C25H29Cl2NO, which is a chloro analog of 2,4-bis(2-bromophenyl)-7-(tert-pentyl)-3-azabicyclo[3.3.1]nonan-9-one [Park, Ramkumar & Parthiban (2012).Acta Cryst.E68, o2946], exists in a twin-chair conformation with an equatorial orientation of the 2-chlorophenyl groups. Thetert-pentyl group on the cyclohexanone adopts an exocyclic equatorial position and is disordered between two orientations in a ratio 0.520 (8):0.480 (8). The crystal packing shows no directional contacts beyond van der Waals contacts.

scholarly journals Crystal structure of 3-(4-methoxyphenyl)-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one

2015 ◽  
Vol 71 (5) ◽  
pp. o332-o332
Author(s):  
R. Vasanthi ◽  
D. Reuben Jonathan ◽  
K. S. Elizhlarasi ◽  
B. K. Revathi ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Chair Conformation ◽  
Ring System ◽  
The Other ◽  
Naphthalene Ring ◽  
Compound C ◽  
Van Der Waals Contacts

In the title compound, C20H16O3, the hydropyran ring adopts a distorted half-chair conformation with the methine C atom and the ring O atom displaced by −0.554 (2) and 0.158 (1) Å, respectively, from the plane of the other four atoms (r.m.s. deviation = 0.020 Å). Its mean plane (all atoms) is inclined to the naphthalene ring system at a dihedral angle of 11.67 (1)°. The dihedral angle between the napthalene ring system and the phenyl ring is 71.84 (1)°. In the crystal, no diectional interactions beyond van der Waals contacts could be identified.

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