scholarly journals rac-6-Ethoxy-3,3a,4,9b-tetrahydro-1,3-diphenyl-1H-chromeno[4,3-c]isoxazole-3a-carbonitrile

2012 ◽  
Vol 68 (6) ◽  
pp. o1660-o1660 ◽  
Author(s):  
S. Paramasivam ◽  
J. Srinivasan ◽  
P. R. Seshadri ◽  
M. Bakthadoss
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Pyran Ring ◽  
Space Group ◽  
Isoxazole Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

The title compound, C25H22N2O3, with three stereogenic centres, crystallizes in a centrosymmetric space group as a racemate. The pyran ring adopts a sofa conformation and the five-membered isoxazole ring exhibits an envelope conformation. The dihedral angle between the benzene ring and the mean plane through the near coplanar atoms of the pyran ring is 10.54 (9)°. In the crystal, no significant intermolecular interactions are observed.

scholarly journals 3-(2-Methylphenyl)-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carbonitrile

2013 ◽  
Vol 69 (2) ◽  
pp. o181-o181
Author(s):  
G. Suresh ◽  
J. Srinivasan ◽  
M. Bakthadoss ◽  
S. Aravindhan
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Pyran Ring ◽  
Isoxazole Ring ◽  
Compound C ◽  
The Mean

In the title compound, C18H14N2O2, the pyran ring of the chromeno ring system has a half-chair conformation, and the dihedral angle between its mean plane and the benzene ring is 5.3 (2)°. The isoxazole ring forms a dihedral angle of 74.6 (2)° with the attached benzene ring and is inclined to the mean plane of the chromeno ring system by 15.06 (19)°. In the crystal, there are no significant intermolecular interactions.

scholarly journals 9-(4-Formylphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

IUCrData ◽  
2018 ◽  
Vol 3 (1) ◽  
Author(s):  
R. Kalaivanan ◽  
V. Sughanya ◽  
N. Sureshbabu
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Boat Conformation ◽  
Pyran Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C24H26O4, the central 4H-pyran ring adopts a flattened boat conformation, with the mean and maximum deviations of the ring being 0.0582 (6) and 0.1012 (3) Å, respectively. The two cyclohexenone rings on opposite sides of the pyran ring each adopt an envelope conformation; the C atom bearing a dimethyl substituent is the flap atom in each case. The mean planes of the pyran ring and the substituent benzene ring subtend a dihedral angle of 86.45 (2)°. In the crystal, molecules are linked into inversion dimers via pairs of C—H...O hydrogen bonds.

scholarly journals N-Ethyl-2-[1-(2-hydroxy-4-methylphenyl)ethylidene]hydrazinecarbothioamide

2014 ◽  
Vol 70 (6) ◽  
pp. o735-o735 ◽  
Author(s):  
Brian J. Anderson ◽  
Jeffrey R. Hall ◽  
Jerry P. Jasinski
Keyword(s):  
Hydrogen Bond ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Planar Conformation ◽  
The Mean ◽  
Independent Molecules

The title compound, C12H17N3OS, crystallizes with two independent molecules (AandB) in the asymmetric unit. The dihedral angle between the mean planes of the benzene ring and the hydrazinecarbothioamide group are 6.9 (4) and 37.2 (5)° in moleculesAandB, respectively. An intramolecular O—H...N hydrogen bond is observed in each molecule. This serves to maintain an approximately planar conformation for moleculeA, but leaves a significant twist between these two groups in moleculeB. In the crystal, a weak N—H...S interaction is observed, forming inversion dimers among theBmolecules and resulting in anR22(8) motif. These dimers are further interconnected by weak N—H...O and C—H...O intermolecular interactions, forming chains along [011].

scholarly journals 3-(3,4-Dimethoxybenzyl)chroman-4-one

2013 ◽  
Vol 69 (2) ◽  
pp. o241-o241 ◽  
Author(s):  
S. Shalini ◽  
C. R. Girija ◽  
Lalitha Simon ◽  
K. K. Srinivasan ◽  
T. V. Venkatesha ◽  
...  
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C18H18O4, the six-membered chroman-4-one ring adopts an envelope conformation with the C atom bonded to the bridging CH2atom as the flap. The dihedral angle between the mean plane of the fused pyranone ring and the dimethoxy-substituted benzene ring is 89.72 (2)°. In the crystal, adjacent molecules are linkedviaC—H...π interactions.

scholarly journals 2-(1,2,3,4-Tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide

2012 ◽  
Vol 68 (8) ◽  
pp. o2581-o2581 ◽  
Author(s):  
Adriano Bof de Oliveira ◽  
Cecília Santos Silva ◽  
Bárbara Regina Santos Feitosa ◽  
Christian Näther ◽  
Inke Jess
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Maximum Deviation ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

The molecular structure of the title compound, C11H13N3S, is not planar: the maximum deviation from the mean plane of the non-H atoms is 0.521 (2) Å for an aliphatic C atom, which corresponds to an envelope conformation for the non-aromatic ring. The hydrazinecarbothioamide substituent and the benzene ring have maximum deviations from the mean planes through the non-H atoms of 0.0288 (16) and 0.0124 (27) Å, respectively, and the dihedral angle between the two planes is 8.84 (13)°. In the crystal, molecules are linked into chains along [1-10] by pairs of N—H...S hydrogen bonds between molecules related by centres of symmetry.

scholarly journals Bis{4-[(1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methane

2013 ◽  
Vol 69 (11) ◽  
pp. o1669-o1669
Author(s):  
Channappa N. Kavitha ◽  
Jerry P. Jasinski ◽  
Brian J. Anderson ◽  
H. S. Yathirajan ◽  
Manpreet Kaur
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
The Other ◽  
Envelope Conformation ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean

In the title compound, C25H32N4O4, both piperazine rings adopt a chair conformation. One of dioxolane ring systems is essentially planar [dihedral angle = 0.9 (2)°] while the other adopts a slightly disordered envelope conformation, the mean plane of the dioxolane ring being twisted by 3.6 (2)° from that of the benzene ring. The dihedral angle between the benzene rings is 69.9 (5)°. No classical hydrogen bonds were observed.

scholarly journals N-(3-Chloro-1H-indazol-5-yl)-4-methoxybenzenesulfonamide

2013 ◽  
Vol 69 (11) ◽  
pp. o1632-o1632
Author(s):  
Hakima Chicha ◽  
El Mostapha Rakib ◽  
Latifa Bouissane ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Two Dimensional ◽  
Common Edge ◽  
Compound C ◽  
Dimensional Network ◽  
The Common ◽  
The Mean

In the title compound, C14H12ClN3O3S, the fused five- and six-membered rings are folded slightly along the common edge, forming a dihedral angle of 3.2 (1)°. The mean plane through the indazole system makes a dihedral angle of 30.75 (7)° with the distant benzene ring. In the crystal, N—H...O hydrogen bonds link the molecules, forming a two-dimensional network parallel to (001).

scholarly journals Diethyl 3,3′-[(3-fluorophenyl)methylene]bis(1H-indole-2-carboxylate)

IUCrData ◽  
2020 ◽  
Vol 5 (7) ◽  
Author(s):  
Hong Jiang ◽  
Yu-Long Li ◽  
Jin Zhou ◽  
Hong-Shun Sun ◽  
Qing-Yu Zhang ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Indole Ring ◽  
Ring Systems ◽  
Compound C ◽  
The Mean ◽  
Supramolecular Chains

In the title compound, C29H25FN2O4, the mean planes of the indole ring systems are approximately perpendicular to one another [dihedral angle = 88.3 (4)°]. The benzene ring is twisted with respect to the indole ring systems by 49.8 (5) and 77.6 (3)°. In the crystal, pairs of N—H...O hydrogen bonds link the molecules into the inversion dimers which are further linked into supramolecular chains propagating along the [110] direction.

scholarly journals 4-(4-Methoxyphenyl)-5,7-dimethylchroman-2-one

IUCrData ◽  
2016 ◽  
Vol 1 (3) ◽  
Author(s):  
Jaqueline Evangelista Queiroz ◽  
Giuliana Muniz Vila Verde ◽  
Mariette Miguens Pereira ◽  
Manuela Ramos Silva ◽  
Gilberto L. B. Aquino
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Boat Conformation ◽  
Pyran Ring ◽  
Axis Direction ◽  
Π Interactions ◽  
Microwave Assisted ◽  
Compound C ◽  
The Mean

In the title compound, C18H18O3, a dihydrocoumarin synthesizedviaa microwave-assisted hydroarylation reaction, the 4-methoxyphenyl ring is inclined to the mean plane of the coumarin moiety by 78.21 (9)°. The pyran ring has a screw-boat conformation and its mean plane is inclined to the fused benzene ring by 13.88 (11)°. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, forming ribbons along theb-axis direction. The ribbons are linkedviaC—H...π interactions, forming slabs parallel to theabplane.

scholarly journals Crystal structure of tolylfluanid

2014 ◽  
Vol 70 (10) ◽  
pp. o1114-o1115
Author(s):  
Seonghwa Cho ◽  
Jineun Kim ◽  
Gihaeng Kang ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dimethylamino Group ◽  
Axis Direction ◽  
Compound C ◽  
The Mean ◽  
Cl Atom

The title compound, C10H13Cl2FN2O2S2{systematic name:N-[(dichlorofluoromethyl)sulfanyl]-N′,N′-dimethyl-N-p-tolylsulfamide}, is a well known fungicide. The dihedral angle between the mean plane of the dimethylamino group and that of the benzene ring is 32.3 (3)°. One Cl atom and one F atom of the dichlorofluoromethylthio group are disordered over two sets of sites with an occupancy ratio of 0.605 (9):0.395 (9). In the crystal structure, two C—H...Cl hydrogen bonds link adjacent molecules, forming dimers withR22(14) loops. C—H...O hydrogen bonds link pairs of dimers into chains along theb-axis direction. These chains are joined by an additional C—H...O contact, generating a sheet in theabplane.

Sign in / Sign up

Export Citation Format

Share Document