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 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 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 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-(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 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 Crystal structure of Dehydrodieugenol B methyl ether, a neolignan from Nectandra leucantha Nees and Mart (Lauraceae)

2018 ◽  
Vol 74 (4) ◽  
pp. 518-521
Author(s):  
Simone S. Grecco ◽  
Gerold Jerz ◽  
Joao Henrique G. Lago ◽  
Peter G. Jones
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Methyl Ether ◽  
Title Compound ◽  
Side Chains ◽  
Stacking Interactions ◽  
Aromatic Rings ◽  
Torsion Angles ◽  
Compound C

In the title compound, C21H24O4 (systematic name: 4,5′-diallyl-2,2′,3′-trimethoxydiphenyl ether), the aromatic rings lie almost perpendicular to each other [dihedral angle = 85.96 (2)°]. The allyl side chains show similar configurations, with Car—C—C=C (ar = aromatic) torsion angles of −123.62 (12) and −115.54 (12)°. A possible weak intramolecular C—H...O interaction is observed. In the crystal, molecules are connected by two C—H...O hydrogen bonds, forming undulating layers lying parallel to the bc plane. Weak C—H...π and π–π stacking interactions also occur.

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 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 3,5-Dimethoxyphenyl 4-methylbenzenesulfonate

IUCrData ◽  
2017 ◽  
Vol 2 (7) ◽  
Author(s):  
Aleksandra Olszowy ◽  
Dawid Siodłak ◽  
Bartosz Zarychta
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Sulfonate Group ◽  
Aromatic Rings ◽  
Compound C

Molecules of the title compound, C15H16O5S, are composed of a 3,5-dimethoxyphenyl moiety substituted with a toluene-4-sulfonate group. The dihedral angle between two aromatic rings is 57.23 (4)°. In the crystal, molecules are connected by weak C—H...O hydrogen bonds and S...O van der Waals interactions.

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