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 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 N-(2-Fluorobenzyloxy)-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine

2012 ◽  
Vol 68 (8) ◽  
pp. o2312-o2313
Author(s):  
Chennan Ramalingan ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Piperidine Ring ◽  
Dihedral Angles ◽  
Boat Conformation ◽  
Compound C ◽  
Phenyl Rings ◽  
Twisted Boat

In the title compound, C27H29FN2O, the piperidine ring has a twisted boat conformation and all ring substituents occupy equatorial positions. The dihedral angle formed between the phenyl rings is 66.71 (12)°, and the phenyl rings form dihedral angles of 46.60 (13) and 43.75 (13)° with the fluorobenzene ring, which occupies a position coplanar to the methoxy(methylidene)amine residue [N—O—C—C torsion angle = −179.5 (2)°]. In the crystal, a complex network of C—H...π interactions connects the molecules into a three-dimensional architecture.

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 4,4-Dimethyl-2-[3-nitro-2-phenyl-1-(phenylsulfanyl)propyl]-4,5-dihydro-1,3-oxazole

2012 ◽  
Vol 68 (4) ◽  
pp. o1225-o1226
Author(s):  
Ignez Caracelli ◽  
Julio Zukerman-Schpector ◽  
José A. F. P. Villar ◽  
Alfredo R. M. Oliveira ◽  
Edward R. T. Tiekink
Keyword(s):  
Nitro Group ◽  
Title Compound ◽  
Van Der Waals ◽  
Three Dimensional ◽  
Van Der Waals Interactions ◽  
Dihedral Angles ◽  
Compound C ◽  
Phenyl Rings ◽  
Supramolecular Chains

In the title compound, C20H22N2O3S, the oxazoline ring is planar (r.m.s. deviation = 0.045 Å) and forms dihedral angles of 47.24 (8) and 10.11 (8)° with the S- and C-bound phenyl rings, respectively. The nitro group lies to the same side of the molecule as the oxazoline ring but is orientated so as not to interact with the ring. Linear supramolecular chains along [010] are formedviaC—H...O and C—H...S contacts. Chains are consolidated into a three-dimensional architecture by C—H...π and van der Waals interactions.

scholarly journals 1-Nitro-4-(1-propyn-1-yl)benzene

IUCrData ◽  
2019 ◽  
Vol 4 (11) ◽  
Author(s):  
Cristian Saul Campos Fernandez ◽  
Leslie W. Pineda ◽  
Jorge Cabezas Pizarro
Keyword(s):  
Title Compound ◽  
Triple Bond ◽  
Rotation Axis ◽  
Van Der Waals ◽  
Compound C ◽  
Van Der Waals Contacts

The title compound, C9H7NO2, was prepared by alkynylation of 4-iodonitrobenzene with 1,3-dilithiopropyne in the presence of 1 equivalent of CuI and catalytic amounts of Pd(PPh3)2Cl2. The complete molecule is generated by crystallographic twofold symmetry with the C—N and C—C[triple-bond]C—C units lying on the rotation axis. No directional interactions beyond normal van der Waals contacts could be identified in the packing.

scholarly journals N′-Benzoyl-5-methyl-1,3-diphenyl-1H-pyrazole-4-carbohydrazide

2013 ◽  
Vol 69 (12) ◽  
pp. o1769-o1769 ◽  
Author(s):  
Chandra ◽  
N. Srikantamurthy ◽  
Shamantha Kumar ◽  
B. H. Doreswamy ◽  
K. B. Umesha ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Carbonyl Groups ◽  
Torsion Angles ◽  
Axis Direction ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C24H20N4O2, the pyrazole ring makes dihedral angles of 47.57 (10)° and 30.56 (11)° with its N-bound and C-bound phenyl groups, respectively. The C—N—N—C group that links the two carbonyls has a torsion angle of 81.5 (2)°. The torsion angles between the carbonyl groups and their adjacent pyrazole and phenyl rings are 125.89 (19) and 164.22 (17)°, respectively. In the crystal, pairs of molecules are linked by N—H...O hydrogen bonds intoR22(10) ring motifs, which in turn link to form chains that propagate parallel to thec-axis direction.

scholarly journals Crystal structure of 2-butylsulfanyl-4,6-bis[(E)-4-(dimethylamino)styryl]pyrimidine

2015 ◽  
Vol 71 (12) ◽  
pp. o978-o978
Author(s):  
Jingbao Song ◽  
Qiang Zhou ◽  
Aijian Wang
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Van Der Waals ◽  
Pyrimidine Ring ◽  
Side Chain ◽  
Dihedral Angles ◽  
Compound C ◽  
Benzene Rings ◽  
Title Molecule ◽  
Van Der Waals Contacts

In the title compound, C28H34N4S, the dihedral angles between the pyrimidine ring and the pendant 4-(dimethylamino)benzene rings are 14.20 (5) and 14.56 (4)°. The butyl side chain adopts ananticonformation [C—C—C—C = −171.53 (13)°]. No directional interactions beyond van der Waals contacts occur in the crystal structure The title molecule has aD–A–Dstructure, in which the pyrimidine ring is the electron-withdrawing part and the 4-(dimethylamino)benzene rings are the electron-donating parts.

scholarly journals 5-[(Benzo[d][1,3]dioxol-5-yl)methyl]-3-[4-(pyridin-2-yl)phenyl]-4,5-dihydroisoxazole

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
Nasseem El-Khatatneh ◽  
A. C. Vinayaka ◽  
Chandra ◽  
M. P. Sadashiva ◽  
S. Jeyaseelan ◽  
...  
Keyword(s):  
Benzene Ring ◽  
Intermolecular Interactions ◽  
Torsion Angle ◽  
Title Compound ◽  
Van Der Waals ◽  
Compound C ◽  
Van Der Waals Contacts

In the molecule of the title compound C22H18N2O3, the benzodioxole and dihydroisoxazole rings are bridgedviaa methylene (CH2) group. The linkage is disordered over two positions with a occupancy factors of 0.887 (5) and 0.113 (5). The dihydroisoxazole and pyridine rings exhibitsyn-clinalandanti-periplanarconformations with respect to the benzodioxole and benzene ring groups, as quantified by the torsion angle values of 70.7 (3) and 157.00 (17)°. Aside from van der Waals contacts, there are no significant intermolecular interactions.

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.

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