scholarly journals Crystal structure of 4-(4-methoxyphenyl)-4′,4′-dimethyl-3-p-tolyl-3′,4′-dihydro-1′H,3H-spiro[isoxazole-5,2′-naphthalen]-1′-one

2015 ◽  
Vol 71 (12) ◽  
pp. o981-o981
Author(s):  
Mohamed Akhazzane ◽  
Ghali Al Houari ◽  
Mohamed El Yazidi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Dihedral Angles ◽  
Isoxazole Ring ◽  
Compound C ◽  
The Mean

In the title compound, C28H27NO3, the cyclohexanone and isoxazole rings have envelope conformations, with the methylene and spiro C atoms as the flaps, respectively. The mean plane of the isoxazole ring is inclined slightly to thep-tolyl ring, making a dihedral angle of 14.20 (9)°, and is nearly perpendicular to the mean plane through the tetralone moiety and to the methoxyphenyl ring [dihedral angles = 83.41 (8) and 72.12 (9)°, respectively]. The crystal packing is stabilized mainly by van der Waals forces.

Difluoro[1-(1-naphthyliminomethyl)-2-naphtholato-N,O]boron

2006 ◽  
Vol 62 (7) ◽  
pp. o2625-o2626 ◽  
Author(s):  
Min Xia ◽  
Shao-Qin Ge ◽  
Xiang-Sheng Li
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Boron Trifluoride ◽  
Crystal Packing ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Boron Trifluoride Etherate ◽  
Stacking Interactions ◽  
Compound C ◽  
The Mean

The title compound, C21H14BF2NO, was synthesized by the reaction of 3-[(E)-(naphthalen-1-ylimino)methyl]naphthalen-2-ol, diisopropylethylamine and boron trifluoride etherate. The mean planes of the two naphthalene systems make a dihedral angle of 71.97 (4)°. The crystal packing is stabilized by π–π stacking interactions and van der Waals forces.

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.

scholarly journals Crystal structure of 2,2′-({[2-(tritylsulfanyl)benzyl]azanediyl}bis(ethane-2,1-diyl))bis(isoindoline-1,3-dione)

2014 ◽  
Vol 70 (9) ◽  
pp. o895-o896
Author(s):  
Ulrich Flörke ◽  
Adam Neuba ◽  
Jochen Ortmeyer ◽  
Gerald Henkel
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Bond Lengths ◽  
Compound C

In the structure of the title compound, C46H37N3O4S, the planes of the two isoindoline units make a dihedral angle of 77.86 (3)°. The dihedral angles between the benzyl plane and the isoindoline units are 79.56 (4) and 3.74 (9)°. The geometry at the S atom shows a short [1.7748 (17) Å] S—Cbenzyland a long [1.8820 (15) Å] S—Ctritylbond and the C—S—C angle is 108.40 (7)°. N—C bond lengths around the azane N atom are in the range 1.454 (2)–1.463 (2) Å. he crystal packing exhibts two rather `non-classical' C—H...O hydrogen bonds that result in stacking of the molecules along theaas well as thebaxis and give rise to columnar sub-structures.

Bis(imidazol-1-yl)methane

2006 ◽  
Vol 62 (5) ◽  
pp. o1798-o1799
Author(s):  
Jian Li
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Rotation Axis ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Compound C ◽  
Methylene Group

In the title compound, C7H8N4, the C atom of the bridging methylene group lies on a twofold rotation axis. The dihedral angle between the symmetry-related imidazole rings is 75.0 (2)°. The crystal packing is stabilized by van der Waals forces.

Ethyl 2-acetamidomethyl-5-methoxy-1-(phenylsulfonyl)indole-3-carboxylate

2007 ◽  
Vol 63 (11) ◽  
pp. o4223-o4223
Author(s):  
Pon. Sathya Moorthy ◽  
M. Balasubramanian ◽  
V. Dhayalan ◽  
A. K. Mohanakrishnan ◽  
M. N. Ponnuswamy
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Ring System ◽  
Indole Ring ◽  
Π Interactions ◽  
Compound C

In the title compound, C21H22N2O6S, the dihedral angle between the sulfonyl-bound phenyl ring and the indole ring system is 79.4 (1)°. The crystal packing is controlled by intra- and intermolecular N—H...O, C—H...O and C—H...π interactions, in addition to van der Waals forces.

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 of ethyl 2-[(4-bromophenyl)amino]-3,4-dimethylpent-3-enoate

2014 ◽  
Vol 70 (10) ◽  
pp. o1122-o1123
Author(s):  
Julio Zukerman-Schpector ◽  
I. Caracelli ◽  
Hélio A. Stefani ◽  
Amna N. Khan ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Methyl Groups ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

In the title compound, C15H20BrNO2, there are two independent molecules (AandB) comprising the asymmetric unit and these adopt very similar conformations. InA, the dihedral angle between the CO2and MeC=CMe2groups is 80.7 (3)°, and these make dihedral angles of 3.5 (3) and 84.09 (16)°, respectively, with the bromobenzene ring. The equivalent dihedral angles for moleculeBare 78.4 (3), 2.1 (3) and 78.37 (12)°, respectively. The most prominent interactions in the crystal packing are amine-N—H...O(carbonyl) hydrogen bonds between the two independent molecules, resulting in non-centrosymmetric ten-membered {...OC2NH}2synthons. Statistical disorder is noted for each of the terminal methyl groups of the ethyl residues.

scholarly journals (3E)-3-{(2E)-3-[4-(Dimethylamino)phenyl]prop-2-enylidene}-3,4-dihydro-2H-chromen-4-one

IUCrData ◽  
2018 ◽  
Vol 3 (9) ◽  
Author(s):  
K. Biruntha ◽  
D. Reuben Jonathan ◽  
U. Mohamooda Sumaya ◽  
E. R. A. Dravida Thendral ◽  
G. Usha
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Ring System ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C20H19NO2, the (dimethylamino)phenyl ring and the chromanone ring system are linked via an α-β unsaturated carbon bridge. The dihedral angle between the two terminal phenyl rings is 29.66 (6)°. The tetrahydro-4H-pyran-4 one ring in the chromanone moiety adopts a sofa conformation. The crystal packing is stabilized only by van der Waals forces.

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 hexamethyl 4,4′,4′′,4′′′,4′′′',4′′′''-[(1,3,5,2λ5,4λ5,6λ5-triazatriphosphinine-2,2,4,4,6,6-hexayl)hexakis(oxy)]hexabenzoate

2017 ◽  
Vol 73 (8) ◽  
pp. 1252-1254
Author(s):  
Jing Zhu ◽  
Guo Hui Hou ◽  
Qian Li ◽  
Fu Wei Zheng ◽  
Hong Liang Wei ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Crystal Packing ◽  
Van Der Waals Interactions ◽  
Dihedral Angles ◽  
Boat Conformation ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean ◽  
Twist Boat

The title compound, C48H42N3O18P3, achieved in a two-step synthesis, comprises a cyclotriphosphazene core and six 4-methoxycarbonylphenoxy groups. Each P atom is attached to two substituents located up and down with respect to the plane of the phosphazene ring, the central P3N3 ring having a twist-boat conformation. The three O/P/O planes and five of the six benzene rings are nearly perpendicular to the mean plane through the phosphazene ring [dihedral angles = 82.98 (8)–88.92 (8)°], while the remaining benzene ring forms a dihedral angle of 25.72 (7)°. The crystal packing is stabilized by van der Waals interactions only.

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