scholarly journals 1-Ethyl-4-[1-(1-phenylethylidene)hydrazin-2-ylidene]-3,4-dihydro-1H-2λ6,1-benzothiazine-2,2-dione

2012 ◽  
Vol 68 (6) ◽  
pp. o1927-o1927
Author(s):  
Muhammad Shafiq ◽  
Islam Ullah Khan ◽  
Muhammad Nadeem Arshad ◽  
Iftikhar Hussain Bukhari ◽  
Ejaz
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
The Other ◽  
Double Bonds ◽  
Axis Direction ◽  
Envelope Conformation ◽  
Compound C ◽  
Thiazine Ring

In the title compound, C18H19N3O2S, the thiazine ring adopts an envelope conformation, with the S atom displaced by 0.732 (1) Å from the other atoms of the ring. The phenyl ring is oriented at a dihedral angle of 79.33 (7)° with respect to the fused benzene ring. The conformations about the two double bonds in the R 2C=N—N=C(CH3)Ar grouping are Z and E, respectively. In the crystal, inversion dimers linked by pairs of C—H...O interactions generate R 2 2(8) and R 2 2(12) loops, as parts of infinite chains along the a-axis direction.

scholarly journals 2,3-Diphenyl-1,3-thiazolidin-4-one

2014 ◽  
Vol 70 (8) ◽  
pp. o847-o847 ◽  
Author(s):  
Hemant P. Yennawar ◽  
John Tierney ◽  
Lee J. Silverberg
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
The Other ◽  
Chiral Molecule ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Envelope Conformation ◽  
Compound C ◽  
Thiazine Ring

The title compound, C15H13NOS, is a chiral molecule crystallized as a racemate, with two molecules in the asymmetric unit. In each of the molecules, the five-membered thiazine ring has an envelope conformation, with the S atom forming the flap. In one molecule, the angle between the two phenyl-ring planes is 82.77 (7)°, while in the other it is 89.12 (6)°. In the crystal, molecules are linked into chains along theb-axis direction by C—H...O hydrogen bonds.

scholarly journals Crystal structure of (Z)-2-benzylidene-4-methyl-2H-benzo[b][1,4]thiazin-3(4H)-one

2015 ◽  
Vol 71 (11) ◽  
pp. o862-o863 ◽  
Author(s):  
Mohamed Ellouz ◽  
Nada Kheira Sebbar ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Boat Conformation ◽  
Compound C ◽  
Thiazine Ring

In the title compound, C16H13NOS, the 1,4-thiazine ring displays a screw-boat conformation. The conformation about the ethene bond [1.344 (2) Å] isZ. The plane of the fused benzene ring makes a dihedral angle of 58.95 (9)° with the pendent phenyl ring, indicating a twisted conformation in the molecule. In the crystal, molecules are linked by pairs of C—H...O hydrogen bonds, forming inversion dimers.

scholarly journals Crystal structure of 2-(4-methylphenyl)-4H-1,3-benzothiazine

2015 ◽  
Vol 71 (2) ◽  
pp. o74-o74
Author(s):  
N. C. Sandhya ◽  
Chandra ◽  
G. P. Suresha ◽  
N. K. Lokanath ◽  
M. Mahendra
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Boat Conformation ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Thiazine Ring

In the title compound, C15H13NS, the thiazine ring adopts a boat conformation. The dihedral angle between the planes of the benzene ring of the benzothiazine unit and the tolyl ring is 19.52 (9)°. In the crystal, molecules are linked by weak C—H...π interactions into a tape structure along theb-axis direction.

scholarly journals Diisopropyl 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-oxocyclohex-3-ene-1,1-dicarboxylate

2009 ◽  
Vol 65 (6) ◽  
pp. o1183-o1183
Author(s):  
Shifeng Chen ◽  
Chen Zhang ◽  
Jian-feng Qi
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Envelope Conformation ◽  
Compound C

The title compound, C24H30O7, displays atransconfiguration with respect to the C=C bond. The cyclohexenone ring has an envelope conformation; the flap atom (with the isopropoxycarbonyl groups) is displaced by 0.664 (3) Å from the plane of the other five ring atoms and the carbonyl O atom. The dihedral angle between the cyclohexenone ring and the benzene ring is 7.85 (9)°. Themetaandparamethoxy O atoms are displaced by 0.003 (7) and 0.031 (4) Å, respectively, from the benzene ring to which they are attached.

scholarly journals 3-[(E)-2-(2-Methoxyphenyl)vinyl]-5,5-dimethylcyclohex-2-enone

2014 ◽  
Vol 70 (5) ◽  
pp. o509-o509 ◽  
Author(s):  
Zeenat Fatima ◽  
Govindaraj Senthilkumar ◽  
A. Vadivel ◽  
Haridoss Manikandan ◽  
Devadasan Velmurugan
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Axis Direction ◽  
Envelope Conformation ◽  
Compound C ◽  
Cyclohexene Ring

The title compound, C17H20O2, has anEconformation about the bridging C=C bond. The cyclohexene ring adopts an envelope conformation with the dimethyl-substituted C atom as the flap. Its mean plane makes a dihedral angle of 7.20 (12)° with the benzene ring. In the crystal, neighbouring molecules are connectedviaC—H...O hydrogen bonds, forming chains running along thea-axis direction.

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 Crystal structure ofrac-2,3-diphenyl-2,3,5,6-tetrahydro-4H-1,3-thiazin-4-one 1-oxide

2016 ◽  
Vol 72 (11) ◽  
pp. 1541-1543 ◽  
Author(s):  
Hemant P. Yennawar ◽  
Ziwei Yang ◽  
Lee J. Silverberg
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Group ◽  
Axial Position ◽  
Axis Direction ◽  
Envelope Conformation ◽  
Compound C ◽  
Phenyl Rings ◽  
Thiazine Ring

In the title compound, C16H15NO2S [alternative name:rac-2,3-diphenyl-1,3-thiazinan-4-one 1-oxide], the thiazine ring exhibits an envelope conformation, with the S atom forming the flap. The sulfoxide O atom is in a pseudo-axial position on the thiazine ring and istransto the phenyl group on C-2. The phenyl rings form a dihedral angle of 89.47 (19)°. In this racemate crystal, homochiral molecules form slabs parallel to (010) of thicknessb/2 which then stack with alternating chirality in theb-axis direction. The stacking is aided by edge-to-face interactions between the phenyl rings of racemic molecules. Within each of the single-enantiomer slabs, the molecules are held by C—H...O-type interactions, with an H...O distance of 2.30 Å, forming infinite chains along thec-axis direction, as well by the edge-to-face interactions between phenyl rings of neighboring molecules in thea-axis direction.

scholarly journals Crystal structure of 1,3-diallyl-1,3,3a,4,7,7a-hexahydro-4,7-methano-2-benzothiophene 2,2-dioxide

2014 ◽  
Vol 70 (11) ◽  
pp. o1163-o1164 ◽  
Author(s):  
Sambasivarao Kotha ◽  
Rama Gunta
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
The Other ◽  
Double Bonds ◽  
Envelope Conformation ◽  
Compound C ◽  
Membered Heterocycle

The title compound C15H20O2S, was identified as a product of diallylation of themeso-isomer of the corresponding norbornene sulfone, and it is an achiral compound. The five-membered heterocycle adopts an envelope conformation with the S atom deviating by 0.795 (3) Å from the other atoms of the ring (r.m.s. deviation = 0.0131). Both allyl groups areanti-oriented relative to the S atom but their double bonds are directed in opposite directions relative to the plane of the heterocycle.

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.

3-Benzylidene-8-methoxy-6-(prop-2-enyl)chroman-4-one

2007 ◽  
Vol 63 (11) ◽  
pp. o4248-o4248 ◽  
Author(s):  
R. Suresh ◽  
Charles C. Kanagam ◽  
P. R. Umarani ◽  
V. Manivannan ◽  
Orhan Büyükgüngör
Keyword(s):  
Molecular Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Compound C

In the title compound, C20H18O3, the phenyl ring makes a dihedral angle of 39.97 (4)° with the benzene ring of the chromanone unit. The molecular structure and the crystal packing are stabilized by weak intra- and intermolecular C—H...O interactions.

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