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 Crystal structure of (E)-furan-2-carbaldehydeO-benzoyloxime

2017 ◽  
Vol 73 (9) ◽  
pp. 1326-1328
Author(s):  
Yousef M. Hijji ◽  
Rajeesha Rajan ◽  
Said Mansour ◽  
Hamdi Ben Yahia
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Twist Angle ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
And Inversion

In the title compound, C12H9NO3, the benzoate and furan rings are almost coplanar, making a dihedral angle of 11.68 (9)°. The twist angle between the –COO group and the benzene ring is only 2.79 (16)°. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming chains along [100]. The molecules stack in a herringbone fashion and inversion-related chains are linked by offset π–π interactions [intercentroid distance = 3.931 (1) Å], forming ribbons propagating along thea-axis direction.

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 (E)-1-(4′-methyl-[1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one

2015 ◽  
Vol 71 (1) ◽  
pp. o65-o66 ◽  
Author(s):  
T. Vidhyasagar ◽  
K. Rajeswari ◽  
D. Shanthi ◽  
M. Kayalvizhi ◽  
G. Vasuki ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Rectangular Tubes

In the title compound, C22H17NO3, the molecule has anEconformation about the C=C bond, and the C—C=C—C torsion angle is −177.7 (3)°. The planes of the terminal benzene rings are twisted by 41.62 (16)°, while the biphenyl unit is non-planar, the dihedral angle between the planes of the rings being 38.02 (15)°. The dihedral angle between the nitrophenyl ring and the inner benzene ring is 5.29 (16)°. In the crystal, molecules are linked by two weak C—H...π interactions, forming rectangular tubes propagating along theb-axis 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.

scholarly journals Crystal structure of (Z)-3-{3-(4-chlorophenyl)-2-[(4-chlorophenyl)imino]-2,3-dihydrothiazol-4-yl}-2H-chromen-2-one

2014 ◽  
Vol 70 (12) ◽  
pp. o1268-o1269
Author(s):  
M. Kayalvizhi ◽  
G. Vasuki ◽  
R. Raj Kumar ◽  
V. Rajeswar Rao
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Thiazole Ring ◽  
Maximum Deviation ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Chromene Ring

In the title compound, C24H14Cl2N2O2S, the 2H-chromene ring system is approximately planar, with a maximum deviation of 0.025 (2) Å. The thiazole ring is almost planar, with an r.m.s. deviation of 0.0022 Å, and makes a dihedral angle of 58.52 (7)° with the chromene ring system. The chromene ring system is inclined at angles of 58.3 (1) and 55.39 (9)° with respect to the two chlorophenyl rings. The two chlorophenyl rings show significant deviation from coplanarity, with a dihedral angle between them of 47.69 (8)°. The crystal structure features C—H...Cl interactions extending in (100) and propagating along thea-axis direction and weak π–π interactions [centroid–centroid separation = 3.867 (2) Å].

3-(Benzotriazol-1-yl)-1-m-tolylpropan-1-one

2007 ◽  
Vol 63 (3) ◽  
pp. o1084-o1085
Author(s):  
Wu-Lan Zeng ◽  
Sai Bi ◽  
Jun Wan
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Π Interactions ◽  
Compound C

In the title compound, C16H15N3O, the whole skeleton of non-H atoms is approximately planar; the dihedral angle is 1.45 (2)° between the benzene and triazole rings in the benzotriazole unit and 6.46 (1)° between the other terminal benzene ring and the benzotriazole unit. The crystal structure is stabilized by C—H...π interactions.

scholarly journals Crystal structure ofN1,N1-diethyl-N4-[(quinolin-2-yl)methylidene]benzene-1,4-diamine

2015 ◽  
Vol 71 (1) ◽  
pp. o49-o50 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Nazia Siddiqui ◽  
Saleem Javed
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
A Chain

The title compound, C20H21N3, is non-planar with a dihedral angle between the planes of the quinoline and phenylenediamine rings of 9.40 (4)°. In the crystal, molecules are connected by C—H...π interactions, generating a chain extending along thea-axis direction. Weak C—H...π interactions also occur.

scholarly journals Crystal structure of (4Z)-4-[(dimethylamino)methylidene]-3,5-dioxo-2-phenylpyrazolidine-1-carbaldehyde

2015 ◽  
Vol 71 (7) ◽  
pp. o440-o441
Author(s):  
Joel T. Mague ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Eman A. Ahmed ◽  
Ahmed Khodairy
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C

In the title compound, C13H13N3O3, the pyrazolidine ring adopts a shallow envelope conformation, with the carbonyl C atom closest to the benzene ring as the flap [deviation of 0.126 (1) Å from the plane through the remaining atoms (r.m.s. deviation = 0.011 Å)]. The dihedral angle between the pyrazolidine ring (all atoms) and the benzene ring is 51.09 (4)°. An extremely short (2.08 Å) intramolecular C—H...O contact is seen. In the crystal, molecules are linked by C—H...O bonds, generating [010] chains. Extremely weak C—H...π interactions are also observed.

scholarly journals Crystal structure of 4-(4b,8a-dihydro-9H-pyrido[3,4-b]indol-1-yl)-7-methyl-2H-chromen-2-one

2017 ◽  
Vol 73 (1) ◽  
pp. 56-58 ◽  
Author(s):  
S. Samundeeswari ◽  
Manohar V. Kulkarni ◽  
G. N. Anil Kumar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring Systems ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
The Mean

The title compound, C21H14N2O2, was prepared by Pictet–Spengler cyclization of tryptamine and 4-formyl coumarin. In the molecule, the dihedral angle between the mean planes of the coumarin and β-carboline ring systems is 63.8 (2)°. In the crystal, molecules are linkedviaN—H...N hydrogen bonds, forming chains along theb-axis direction. Within the chains, there are a number of offset π–π interactions present [shortest intercentroid distance = 3.457 (2) Å].

Sign in / Sign up

Export Citation Format

Share Document