scholarly journals Crystal structure of 2-(2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)acetonitrile

2015 ◽  
Vol 71 (10) ◽  
pp. o792-o793
Author(s):  
K. Priya ◽  
K. Saravanan ◽  
S. Kabilan ◽  
S. Selvanayagam
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Packing ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Chair Conformation ◽  
Equatorial Orientation ◽  
Amino Group ◽  
Phenyl Rings

In the title 3-azabicyclononane derivative, C22H22N2, both the fused piperidine and cyclohexane rings adopt a chair conformation. The phenyl rings attached to the central azabicylononane fragment in an equatorial orientation are inclined to each other at 23.7 (1)°. The amino group is not involved in any hydrogen bonding, so the crystal packing is stabilized only by van der Waals forces.

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.

Molecular structures and conformations of three 3-azabicyclononanes

1999 ◽  
Vol 55 (5) ◽  
pp. 793-798 ◽  
Author(s):  
D. Kumaran ◽  
M. N. Ponnuswamy ◽  
G. Shanmugam ◽  
S. Ponnuswamy ◽  
R. Jeyaraman ◽  
...  
Keyword(s):  
Van Der Waals ◽  
Molecular Geometry ◽  
Van Der Waals Forces ◽  
Chair Conformation ◽  
Ring System ◽  
Molecular Structures ◽  
Piperidine Ring ◽  
Equatorial Orientation ◽  
Space Groups ◽  
Phenyl Rings

The structure, conformation, molecular geometry and the mode of packing of 7-tert-butyl-N-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonane (C25H33N; MTABN), N-acetyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonane (C22H25NO; AABN) and N-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-ol (C23H29NO; MHABN) are presented. The compounds MTABN and MHABN crystallize in monoclinic space groups, whereas AABN is orthorhombic. In each of the three structures, the bicyclic ring system adopts a chair–chair conformation and the phenyl rings are in equatorial orientation with respect to the piperidine ring. In AABN, apart from the van der Waals forces, weak intermolecular C—H...O type interactions are involved in the packing.

scholarly journals Crystal structure of di-μ-iodido-bis[bis(acetonitrile-κN)copper(I)]

2015 ◽  
Vol 71 (11) ◽  
pp. m189-m190
Author(s):  
Eva Rebecca Barth ◽  
Christopher Golz ◽  
Michael Knorr ◽  
Carsten Strohmann
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Crystal Packing ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Tetrahedral Coordination ◽  
Coordination Environment ◽  
Hydrogen Bonding Interactions ◽  
Distorted Tetrahedral Coordination

The title compound, [Cu2I2(CH3CN)4], exhibits a centrosymmetric Cu2I2core [Cu...Cu distance = 2.7482 (11) Å], the CuIatoms of which are further coordinated by four molecules of acetonitrile. The CuIatom has an overall distorted tetrahedral coordination environment evidenced byL—Cu—Langles (L= N or I) ranging from 100.47 (10) to 117.06 (2)°. The coordination geometries of the acetonitrile ligands deviate slightly from linearity as shown by Cu—N—C angles of 167.0 (2) and 172.7 (2)°. In the crystal, there are no significant hydrogen-bonding interactions present, so the crystal packing seems to be formed predominantly by van der Waals forces.

scholarly journals Crystal structure of 2-hydroxy-2-phenylacetophenone oxime

2021 ◽  
Vol 77 (1) ◽  
pp. 66-69
Author(s):  
Nurcan Akduran
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Hirshfeld Surface ◽  
Oxime Group ◽  
Phenyl Rings ◽  
Ring Interaction ◽  
Van Der Waals Contacts

The title compound [systematic name: 2-(N-hydroxyimino)-1,2-diphenylethanol], C14H13NO2, consists of hydroxy phenylacetophenone and oxime units, in which the phenyl rings are oriented at a dihedral angle of 80.54 (7)°. In the crystal, intermolecular O—HOxm...NOxm, O—HHydr...OHydr, O—H′Hydr...OHydr and O—HOxm...OHydr hydrogen bonds link the molecules into infinite chains along the c-axis direction. π–π contacts between inversion-related of the phenyl ring adjacent to the oxime group have a centroid–centroid separation of 3.904 (3) Å and a weak C—H...π(ring) interaction is also observed. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H...H (58.4%) and H...C/C...H (26.4%) contacts. Hydrogen bonding and van der Waals contacts are the dominant interactions in the crystal packing.

4-Oxo-2,3,5,6-tetraphenylpiperidine-1-carbonitrile ethyl acetate hemisolvate

2006 ◽  
Vol 62 (4) ◽  
pp. o1295-o1297
Author(s):  
J. Suresh ◽  
V. P. Alex Raja ◽  
S. Natarajan ◽  
S. Perumal ◽  
A. Mostad ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Ethyl Acetate ◽  
Title Compound ◽  
Chair Conformation ◽  
Compound C ◽  
Phenyl Rings ◽  
Space Filler ◽  
Acetate Molecule

In the title compound, C30H24N2O·0.5C4H8O2, the piperidone ring adopts the chair conformation and all the phenyl rings are equatorially oriented. The ethyl acetate molecule is present as a space filler and does not participate in the hydrogen-bonding network. The crystal structure is stabilized through C—H...N and C—H...O hydrogen bonds. No significant C—H...π and π–π interactions are observed.

scholarly journals Crystal structure of 2,6-bis(2,5-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one

2014 ◽  
Vol 70 (11) ◽  
pp. o1160-o1160
Author(s):  
Dong Ho Park ◽  
V. Ramkumar ◽  
P. Parthiban
Keyword(s):  
Crystal Structure ◽  
Crystal Packing ◽  
Van Der Waals ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Benzene Rings ◽  
Title Molecule ◽  
Van Der Waals Contacts

In the title molecule, C23H29NO5, the central piperidine ring has a chair conformation. The planes of the two benzene rings are inclined each to other at 61.7 (1)°. The crystal packing exhibits no directional interactions only van der Waals contacts.

scholarly journals (3E)-3-{(2E)-3-[4-(Dimethylamino)phenyl]prop-2-enylidene}-3,4-dihydro-2H-chromen-4-one

IUCrData ◽  
2018 ◽  
Vol 3 (9) ◽  
Author(s):  
K. Biruntha ◽  
D. Reuben Jonathan ◽  
U. Mohamooda Sumaya ◽  
E. R. A. Dravida Thendral ◽  
G. Usha
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Ring System ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C20H19NO2, the (dimethylamino)phenyl ring and the chromanone ring system are linked via an α-β unsaturated carbon bridge. The dihedral angle between the two terminal phenyl rings is 29.66 (6)°. The tetrahydro-4H-pyran-4 one ring in the chromanone moiety adopts a sofa conformation. The crystal packing is stabilized only by van der Waals forces.

scholarly journals 11-[Bis(trimethylsilyl)amino]-2,4-bis(trimethylsilyl)-7,8,9,10-tetrahydro-6H-cyclohepta[1,2-b]quinoline

IUCrData ◽  
2017 ◽  
Vol 2 (6) ◽  
Author(s):  
Ísmail Çelik ◽  
Mehmet Akkurt ◽  
Makbule Ekiz ◽  
Ahmet Tutar ◽  
Salih Ökten ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Chair Conformation ◽  
Ring System ◽  
Maximum Deviation ◽  
Compound C ◽  
Trimethylsilyl Groups

In the title compound, C26H48N2Si4, the cycloheptane ring adopts a chair conformation, while the quinolinyl ring system is almost planar [maximum deviation = 0.040 (3) Å for one of the C atoms carrying a Me3Si group]. In the crystal, in the absence of classical hydrogen bonding, the packing is dominated by van der Waals forces. One of the N-bound trimethylsilyl groups is disordered by rotation about the C—SiMe3bond, and was modelled over two sets of sites in the ratio 0.873 (8):0.127 (8).

OxycodoneN-oxide

2012 ◽  
Vol 68 (11) ◽  
pp. o436-o438 ◽  
Author(s):  
Vijayakumar N. Sonar ◽  
Sean Parkin ◽  
Peter A. Crooks
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Crystal Packing ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Pure Form ◽  
Chiral Center

The title compound, (5R,9R,13S,14S,17R)-14-hydroxy-3-methoxy-17-methyl-4,5-epoxymorphinan-6-oneN-oxide, C18H21NO5, has been prepared in a diastereomerically pure form by the reaction of oxycodone with 3-chloroperbenzoic acid and subsequent crystallization of the product from chloroform. The crystal packing shows that the molecule exhibits intramolecular O—H...O [D...A= 2.482 (2) Å] hydrogen bonding. In addition, there are weak intermolecular C—H...O interactions which, along with van der Waals forces, stabilize the structure. The new chiral center at the 17-position is demonstrated to beR.

2-Diethylamino-6-ethyl-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one

2006 ◽  
Vol 62 (7) ◽  
pp. o2862-o2863
Author(s):  
Zheng-Dong Fang ◽  
Ming-Wu Ding
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Stacking Interactions ◽  
Intermolecular Hydrogen Bonding ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Π Stacking

In the title compound, C19H23N3OS, the two fused rings of the thieno[2,3-d]pyrimidin-4(3H)-one system are almost coplanar. The packing of the molecules in the crystal structure is determined by van der Waals forces. No intermolecular hydrogen-bonding interactions or π–π stacking interactions are present in the crystal structure.

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