scholarly journals Crystal structure ofN,N′-bis(diisopropylphosphanyl)-4-methylpyridine-2,6-diamine

2014 ◽  
Vol 70 (9) ◽  
pp. o889-o890
Author(s):  
Berthold Stöger ◽  
Matthias Weil ◽  
Bernhard Bichler ◽  
Wolfgang Eder ◽  
Karl Kirchner
Keyword(s):  
Crystal Structure ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Van Der Waals ◽  
The Other ◽  
Maximum Deviation ◽  
Compound C ◽  
The Mean ◽  
Van Der Waals Contacts

In the molecule of the title compound, C18H35N3P2, the methylpyridine-2,6-diamine moiety is almost planar, with a maximum deviation of 0.0129 (9) Å for one of the amine N atoms. Whereas one of the P atoms is co-planar with this mean plane [deviation = 0.0158 (10) Å], the other P atom is considerably displaced out of the mean plane by 0.5882 (10) Å. In the crystal, no directional intermolecular interactions beyond van der Waals contacts could be identified.

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 4-methyl-N-{(E)-methyl[(3aR,8aS)-2-oxo-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d][1,3]oxazol-3-yl]-λ4-sulfanylidene}benzenesulfonamide

2015 ◽  
Vol 71 (12) ◽  
pp. o1097-o1098 ◽  
Author(s):  
Patrícia A. Pereira ◽  
Bruce C. Noll ◽  
Allen G. Oliver ◽  
Gustavo P. Silveira
Keyword(s):  
Crystal Structure ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Bond Angle ◽  
Crystal Packing ◽  
Van Der Waals ◽  
Pyramidal Geometry ◽  
Compound C ◽  
Van Der Waals Contacts

The formulation that the title compound, C18H18N2O4S2, adopts is a zwitterionic core with the charge separated to the sulfilimine S and N atoms and is supported by the two different S—N bond distances about the sulfinimine N atom [1.594 (2) and 1.631 (2) Å, respectively] that are typical for such bonds. The notably unusual bond is S—N(oxazolidinone) [1.692 (2) Å] that is longer than a typical S—N bond [1.603 (18) Å,Mogulanalysis; Macraeet al.(2008).J. Appl. Cryst.41, 466–470]. The bond-angle sum about sulfilimine sulfur (308.35°) reflects the trigonal–pyramidal geometry of this atom. Two of the angles are less than 100°. Despite the pyramidalization of this sulfur, there are no significant intermolecular interactions, beyond usual van der Waals contacts, in the crystal packing.

scholarly journals Redetermination of 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane

2014 ◽  
Vol 70 (3) ◽  
pp. o266-o266 ◽  
Author(s):  
Augusto Rivera ◽  
Jaime Ríos-Motta ◽  
Michael Bolte
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Room Temperature ◽  
Van Der Waals ◽  
The Other ◽  
Site Symmetry ◽  
Asymmetric Unit ◽  
Temperature Study ◽  
Compound C ◽  
Van Der Waals Contacts

The structure of the title compound, C8H16N4, which consists of four fused seven-membered rings, has been redetermined at 173 K. This redetermination corrects the orientation of two H atoms, which were located at unrealistic positions in the original room-temperature study [Murray-Rust (1974).J. Chem. Soc. Perkin Trans. 2, pp. 1136–1141]. The complete molecule is generated by -42msymmetry, with one quarter of a molecule [one N atom (site symmetrym), two C atoms (one with site symmetrymand the other with site symmetry 2) and two H atoms] in the asymmetric unit. No directional interactions beyond van der Waals contacts are apparent in the crystal structure.

scholarly journals 2,2′-Bithiophene-3,3′-dicarbonitrile

2012 ◽  
Vol 68 (8) ◽  
pp. o2542-o2542 ◽  
Author(s):  
J. Josephine Novina ◽  
G. Vasuki ◽  
Durai Karthik ◽  
K. R. Justin Thomas
Keyword(s):  
Crystal Structure ◽  
Bond Length ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Van Der Waals ◽  
Ring System ◽  
Van Der Waals Interactions ◽  
Maximum Deviation ◽  
Inversion Center ◽  
Compound C

The complete molecule of the title compound, C10H4N2S2, is generated by an inversion center situated at the mid-point of the bridging C—C bond. The bithiophene ring system is planar [maximum deviation = 0.003 (2) Å] and the central C—C bond length is 1.450 (2) Å. There are no significant intermolecular interactions in the crystal structure, which is stabilized by van der Waals interactions.

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 Crystal structure of 4-allylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine

2014 ◽  
Vol 70 (9) ◽  
pp. o1038-o1038 ◽  
Author(s):  
Mohammed El Fal ◽  
Youssef Ramli ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyrimidine Ring ◽  
Ring System ◽  
Maximum Deviation ◽  
Compound C ◽  
The Mean ◽  
Graph Set

In the title compound, C8H8N4S, the pyrazolo[3,4-d]pyrimidine ring system is essentially planar, with a maximum deviation from the mean plane of 0.025 (3) Å. The allyl group is disordered over two sites in a 0.512 (6):0.488 (6) ratio. In the crystal, molecules are linked by pairs of N—H...N hydrogen bonds, forming inversion dimers with anR22(8) graph-set motif.

scholarly journals Crystal structure of (E)-1-(4-chlorophenyl)ethanoneO-dehydroabietyloxime

2014 ◽  
Vol 70 (9) ◽  
pp. o899-o900
Author(s):  
Jian-Qiang Zheng ◽  
Yan-Jie Cui ◽  
Xiao-Ping Rao
Keyword(s):  
Crystal Structure ◽  
Torsion Angle ◽  
Title Compound ◽  
Van Der Waals ◽  
Dehydroabietic Acid ◽  
Compound C ◽  
Ring Junction ◽  
Carbonyl Oxime ◽  
Van Der Waals Contacts

The title compound, C28H34ClNO2{systematic name: (E)-1-(4-chlorophenyl)ethanoneO-[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carbonyl]oxime}, was synthesized from dehydroabietic acid. In the dehydroabietyl moiety, the central and terminal cyclohexane rings display chair and half-chair conformations, respectively, and atrans-ring junction. The C=N bond is in anEconformation and the C—O—N=C torsion angle is 148.1 (5)°. No directional interactions except van der Waals contacts occur in the crystal structure.

scholarly journals Crystal structure of (Z)-3-allyl-5-(4-methylbenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

2015 ◽  
Vol 71 (12) ◽  
pp. o906-o907 ◽  
Author(s):  
Rahhal El Ajlaoui ◽  
El Mostapha Rakib ◽  
Mohammed Chigr ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Crystal Packing ◽  
Compound C ◽  
The Mean

In the title compound, C14H13NOS2, the atoms of the allyl group are disordered over two sets of sites, with an occupancy ratio of 0.559 (10):0.441 (10). The rhodanine ring makes a dihedral angle of 5.51 (12)° with the mean plane through thep-tolyl group. There are no specific intermolecular interactions in the crystal packing.

scholarly journals Crystal structure oftrans-1-{2-[4-(dimethylamino)phenyl]ethyl}-4-[2-(pyren-1-yl)ethyl]cyclohexane

2015 ◽  
Vol 71 (8) ◽  
pp. o629-o630
Author(s):  
Sreevidya Thekku Veedu ◽  
Simone Techert
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Twin Domain ◽  
Compound C ◽  
The Mean

The title compound, C34H37N, is a pyrene derivative in which the pyrene ring system is linked to an ethylcyclohexane unit which, in turn, carries a [4-(dimethylamino)phenyl]ethyl substituent in theparaposition. The central cyclohexane ring has a chair conformation, with the exocyclic C—C bonds in equatorial orientations. The benzene ring is inclined to the mean plane of the pyrene ring system [maximum deviation = 0.038 (4) Å] by 14.84 (15)°. In the crystal, molecules are linked by C—H...π interactions, forming chains propagating along [010]. The crystal was refined as a non-merohedral twin [domain ratio = 0.9989 (4):0.0011 (4)].

scholarly journals Crystal structure of 5-(1-benzofuran-2-yl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-ol

2015 ◽  
Vol 71 (7) ◽  
pp. o492-o493
Author(s):  
A. J. Ravi ◽  
A. C. Vinayaka ◽  
S. Jeyaseelan ◽  
M. P. Sadashiva ◽  
H. C. Devarajegowda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
The Other ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean

In the title compound, C18H15NO3, the isoxazole moiety adopts a shallow envelope conformation, with the C atom bearing the OH group displaced by 0.148 (1) Å from the mean plane through the other four atoms. The mean plane of this ring (all atoms) subtends dihedral angles of 87.19 (6) and 15.51 (7)° with the benzofuran ring system (r.m.s. deviation = 0.007 Å) and the 4-methylphenyl ring, respectively. In the crystal, molecules are linked by O—H...N hydrogen bonds, generating [001]C(5) chains, with adjacent molecules in the chain related byc-glide symmetry. Weak C—H...O interactions link the chains into a three-dimensional network.

Sign in / Sign up

Export Citation Format

Share Document