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 (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 (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 (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 Crystal structure of 2-{[(2-chlorophenyl)imino]methyl}phenol

2015 ◽  
Vol 71 (1) ◽  
pp. o48-o48 ◽  
Author(s):  
Matheswaran Saranya ◽  
Annamalai Subashini ◽  
Chidambaram Arunagiri ◽  
Packianathan Thomas Muthiah
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Van Der Waals ◽  
Aromatic Rings ◽  
Compound C ◽  
Cl Atom ◽  
Van Der Waals Contacts

In the title compound, C13H10ClNO, the dihedral angle between the planes of the aromatic rings is 51.42 (9)° and an intramolecular O—H...N hydrogen bond closes anS(6) ring. The Cl atom and the N atom aresyn. No directional interactions beyond van der Waals contacts are observed in the crystal.

scholarly journals 4,4′,4′′,4′′′-({4′λ5,6λ5,6′λ5-Spiro[dibenzo[d,f][1,3,2]dioxaphosphepine-6,2′-[1,3,5,2,4,6]triazatriphosphinine]-4′,4′,6′,6′-tetrayl}tetrakis(oxy))tetrabenzaldehyde

IUCrData ◽  
2017 ◽  
Vol 2 (12) ◽  
Author(s):  
Guohui Hou ◽  
Yumeng Zhang ◽  
Jing Zhu ◽  
Anxian Xiong ◽  
Hongliang Wei ◽  
...  
Keyword(s):  
Torsion Angle ◽  
Title Compound ◽  
Rotation Axis ◽  
Van Der Waals ◽  
Dihedral Angles ◽  
Compound C ◽  
Phenyl Rings ◽  
Van Der Waals Contacts

The complete molecule of the title compound, C40H28N3O10P3, is generated by crystallographic twofold symmetry, with one P and one N atom lying on the rotation axis. The central P3N3ring is close to planar, with an r.m.s. deviation of the six fitted atoms of 0.077 Å. The 2,2′-biphenoxy moiety generates a seven-membered spirocyclic structure with an endocyclic C—C—C—C torsion angle about the central biphenoxy C—C bond of 38.5 (4)°. The formyl-substituted phenyl rings subtend dihedral angles of 56.83 (10) and 61.02 (13)° with respect to the phosphazene core. The C=O and C—H groups of the formyl groups are disordered over two orientations in a 0.640 (4):0.360 (4) ratio. No directional interactions beyond normal van der Waals contacts could be identified in the crystal.

scholarly journals 1,2-Bis(3,5-dimethylphenyl)ethane

IUCrData ◽  
2018 ◽  
Vol 3 (4) ◽  
Author(s):  
Lukas Brieger ◽  
Christian Unkelbach ◽  
Carsten Strohmann
Keyword(s):  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Van Der Waals ◽  
Aromatic Rings ◽  
Coupling Product ◽  
Compound C ◽  
Van Der Waals Contacts

The title compound, C18H22, is a coupling product of two metallated mesitylene molecules. The dihedral angle between the aromatic rings is 11.10 (5)° and the Car—Cm—Cm—Car (ar = aromatic and m = methylene) torsion angle is 179.60 (14)°. No directional interactions beyond normal van der Waals contacts could be identified in the crystal. To our best knowledge, it is the first known coupling product of metallated mesitylene.

scholarly journals Crystal structure of 5,10,15-triphenyl-20-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)porphyrin

2014 ◽  
Vol 70 (10) ◽  
pp. o1085-o1086
Author(s):  
Mathias O. Senge ◽  
Hans-Georg Eckhardt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Central Region ◽  
Title Compound ◽  
Ring System ◽  
Compound C ◽  
Porphyrin Macrocycle ◽  
Phenyl Rings ◽  
Supramolecular Chains

In the title compound, C44H37BN4O2, the dihedral angle between the plane of the porphyrin macrocycle ring system [r.m.s. deviation = 0.159 (1) Å] and those of three phenyl rings are 66.11 (4), 74.75 (4) and 57.00 (4)°. The conformational distortion is characterized by a mixture of ruffled, saddle and in-plane distortion modes. In the crystal, the porphyrin molecules are linked by C—H...π interactions into supramolecular chains running along thea-axis direction. A pair of bifurcated N—H...(N,N) hydrogen bonds occur across the central region of the macrocycle.

4-(Bromomethyl)benzophenone

2007 ◽  
Vol 63 (3) ◽  
pp. o1188-o1189 ◽  
Author(s):  
Wei-Jian Xu ◽  
Yang-Ling Zang ◽  
Guo-Liang Wu ◽  
Sheng-Pei Su ◽  
De-Yue Qiu
Keyword(s):  
Crystal Structure ◽  
Carbon Tetrachloride ◽  
Dihedral Angle ◽  
Structure Analysis ◽  
Title Compound ◽  
Crystal Packing ◽  
Crystal Structure Analysis ◽  
X Ray ◽  
Compound C ◽  
Phenyl Rings

The title compound, C14H11BrO, was synthesized by the reaction of 4-methylbenzophenone and bromine in carbon tetrachloride. X-ray crystal structure analysis reveals that the benzene and phenyl rings form a dihedral angle of 59.53 (6)°, and the crystal packing is stabilized by intermolecular C—H...π interactions.

scholarly journals 4-Chloro-1-[2-(2-chlorophenyl)ethyl]-2-nitrobenzene

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
H. S. Yeshwanthkumar ◽  
P. Nagendra ◽  
B. P. Siddaraju ◽  
K. C. Chaluvaraju ◽  
K. Byrappa ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Nitro Group ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C14H11Cl2NO2, the dihedral angle between the phenyl rings is 8.60 (17)° and the nitro group makes a dihedral anle of 29.4 (4)° with its attached ring. The crystal structure features C—H...O hydrogen bonds and π–π interactions.

scholarly journals Crystal structure analysis of ethyl 6-(4-methoxyphenyl)-1-methyl-4-methylsulfanyl-3-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

2020 ◽  
Vol 76 (8) ◽  
pp. 1209-1212
Author(s):  
H. Surya Prakash Rao ◽  
Ramalingam Gunasundari ◽  
Jayaraman Muthukumaran
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Structure Analysis ◽  
Title Compound ◽  
Crystal Packing ◽  
Crystal Structure Analysis ◽  
Dihedral Angles ◽  
Pyridine Moiety ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C24H23N3O3S, the dihedral angle between the fused pyrazole and pyridine rings is 1.76 (7)°. The benzene and methoxy phenyl rings make dihedral angles of 44.8 (5) and 63.86 (5)°, respectively, with the pyrazolo[3,4-b] pyridine moiety. An intramolecular short S...O contact [3.215 (2) Å] is observed. The crystal packing features C—H...π interactions.

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