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 (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 (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 Bis(2-bromobenzyl) ether

2014 ◽  
Vol 70 (7) ◽  
pp. o765-o765
Author(s):  
Venkatramu Anuradha ◽  
P. Nagendra ◽  
S. Madan Kumar ◽  
B. P. Siddaraju ◽  
N. K. Lokanath
Keyword(s):  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Van Der Waals ◽  
Aromatic Rings ◽  
Compound C ◽  
Van Der Waals Contacts

In the title compound, C14H12Br2O, the dihedral angle between the aromatic rings is 2.7 (3)° and the Br atoms lie on the same side of the molecule. No intermolecular interactions occur in the crystal beyond van der Waals contacts.

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 6-Bromo-1-methyl-4-[2-(1-phenylethylidene)hydrazinylidene]-3,4-dihydro-1H-2λ6,1-benzothiazine-2,2-dione

2013 ◽  
Vol 69 (2) ◽  
pp. o164-o164 ◽  
Author(s):  
Muhammad Shafiq ◽  
M. Nawaz Tahir ◽  
William T. A. Harrison ◽  
Iftikhar Hussain Bukhari ◽  
Islam Ullah Khan
Keyword(s):  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
The Other ◽  
Aromatic Rings ◽  
Compound C ◽  
Thiazine Ring ◽  
The Mean

In the title compound, C17H16BrN3O2S, the dihedral angle between the aromatic rings is 1.24 (15)° and the C=N—N=C torsion angle is 167.7 (3)°. The conformation of the thiazine ring is an envelope, with the S atom displaced by 0.805 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.027 Å). In the crystal, C—H...O interactions link the molecules intoC(10) [010] chains. A weak C—H...π interaction is also observed.

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 N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzenesulfonamide

2012 ◽  
Vol 68 (8) ◽  
pp. o2433-o2433 ◽  
Author(s):  
Shumaila Younas Mughal ◽  
Islam Ullah Khan ◽  
William T. A. Harrison ◽  
Muneeb Hayat Khan ◽  
Muhammad Nadeem Arshad
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Aromatic Rings ◽  
Compound C

In the title compound, C14H12FNO4S, the dihedral angle between the aromatic rings is 50.26 (9)° and the C—S—N—C bond adopts agaucheconformation [torsion angle = −68.12 (15)°]. The dihydrodioxine ring is disordered over two orientations, which both approximate to half-chairs, in a 0.880 (7):0.120 (7) ratio. In the crystal, N—H...O hydrogen bonds link the molecules intoC(4) chains propagating in [100]. Weak C—H...O and C—H...F interactions consolidate the packing.

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.

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