1-(4-Fluorophenyl)-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazin-3-one

2007 ◽  
Vol 63 (3) ◽  
pp. o1495-o1496
Author(s):  
Hosein Ghorbani ◽  
Ayoob Bazgir
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Boat Conformation ◽  
Compound C ◽  
Oxazine Ring

In the molecule of the title compound, C18H12FNO2, the oxazine ring is not planar and has a flattened boat conformation The dihedral angle between the benzene ring and the naphthalene system is 78.4 (3)°. In the crystal structure, intermolecular N—H...O hydrogen bonds link the molecules into dimers, which may be effective in the stabilization of the structure.

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 3-Ethyl-6-(4-fluorophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine

2012 ◽  
Vol 68 (6) ◽  
pp. o1860-o1860
Author(s):  
S. Jeyaseelan ◽  
H. C. Devarajegowda ◽  
R. Sathishkumar ◽  
Agnes Sylvia D'souza ◽  
Alphonsus D'souza
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Boat Conformation ◽  
Compound C ◽  
Centroid Distance ◽  
Twist Boat

In the title compound, C12H11FN4S, the thiadiazine ring adopts a twist-boat conformation. The dihedral angle between the triazolothiadiazine system and the benzene ring is 10.54 (9)°. The crystal structure is characterized by C—H...N hydrogen bonds. The crystal packing also exhibits π–π interactions, with a centroid–centroid distance of 3.6348 (15) Å.

scholarly journals N-(5-Chloro-1,3-thiazol-2-yl)-2,4-difluorobenzamide

2012 ◽  
Vol 68 (6) ◽  
pp. o1857-o1857 ◽  
Author(s):  
Xi-Wang Liu ◽  
Jian-Yong Li ◽  
Han Zhang ◽  
Ya-Jun Yang ◽  
Ji-Yu Zhang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Benzoyl Chloride ◽  
Bond Lengths ◽  
Compound C

The title compound, C10H5ClF2N2OS, was obtained by linking an amino heterocycle and a substituted benzoyl chloride. The dihedral angle between the two rings is 41.2 (2)° and the equalization of the amide C—N bond lengths reveals the existence of conjugation between the benzene ring and the thiazole unit. In the crystal, pairs of N—H...N hydrogen bonds link molecules into inversion dimers. Non-classical C—H...F and C—H...O hydrogen bonds stabilize the crystal structure.

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.

2,4,4-Trimethyl-N-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxamide

2007 ◽  
Vol 63 (11) ◽  
pp. o4264-o4264 ◽  
Author(s):  
A Thiruvalluvar ◽  
S Ponnuswamy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Boat Conformation ◽  
Equatorial Orientation ◽  
Methyl Group ◽  
Compound C ◽  
Benzene Rings

In the title compound, C19H23N3O, the seven-membered diazepine ring adopts a boat conformation. The phenylcarbamoyl group is coplanar with the N atom and its two attached C atoms. The methyl group at position 2 has an equatorial orientation. The dihedral angle between the two benzene rings is 81.07 (9)°. The crystal structure is stabilized by intramolecular C—H...O and intermolecular N—H...O hydrogen bonds.

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 3-amino-1-(4-hydroxyphenyl)-1H-benzo[f]chromene-2-carbonitrile

2015 ◽  
Vol 71 (8) ◽  
pp. o536-o537
Author(s):  
Mehmet Akkurt ◽  
Peter N. Horton ◽  
Sabry H. H. Younes ◽  
Shaaban K. Mohamed ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Boat Conformation ◽  
Naphthalene Ring ◽  
Pyran Ring ◽  
Compound C ◽  
The Mean

In the title compound, C20H14N2O2, the hydroxybenzene ring is almost perpendicular to the mean plane of the naphthalene ring system, making a dihedral angle of 85.56 (4)°. The 4H-pyran ring fused with the naphthalene ring system has a flattened boat conformation. In the crystal, O—H...N and N—H...O hydrogen bonds link the molecules into a supramolecular layer in thebcplane; N—H...π interactions also contribute to this arrangement. The layers are linked by weak by C—H...π and π–π [inter-centroid separation = 3.8713 (7) Å] interactions.

scholarly journals Crystal structure of diethyl 3,3′-[(4-nitrophenyl)methylene]bis(1H-indole-2-carboxylate)

2017 ◽  
Vol 73 (12) ◽  
pp. 1956-1958
Author(s):  
Hong-Shun Sun ◽  
Yu-Long Li ◽  
Hong Jiang ◽  
Yu-Liang Chen ◽  
Ya-Di Hu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Indole Ring ◽  
Ring Systems ◽  
Compound C ◽  
The Mean ◽  
Supramolecular Chains

In the title compound, C29H25N3O6, the mean planes of the two indole ring systems (r.m.s. deviations = 0.0115 and 0.0082 Å) are approximately perpendicular to one another, making a dihedral angle of 89.7 (5)°; the benzene ring is twisted with respect to the two indole ring systems by 52.6 (4) and 88.2 (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 along theb-axis direction. Weak C—H...O hydrogen bonds and C—H...π interactions are also observed in the crystal.

scholarly journals 1,2-Bis(1H-tetrazol-5-yl)benzene dihydrate

2009 ◽  
Vol 65 (6) ◽  
pp. o1331-o1331 ◽  
Author(s):  
Hai-Jun Xu ◽  
Yi-Jie Pan ◽  
Li-Jing Cui
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Tetrazole Ring ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Compound C

The asymmetric unit of the title compound, C8H6N8·2H2O, contains one half-molecule, with the benzene ring on a centre of symmetry, and two uncoordinated water molecules. The benzene ring is oriented at a dihedral angle of 34.43 (12)° with respect to the tetrazole ring. Strong O—H...N hydrogen bonds link the water molecules to the N atoms of the tetrazole ring. In the crystal structure, strong intermolecular O—H...O and O—H...N hydrogen bonds link the molecules into a network. One of the water H atoms is disordered over two positions and was refined with occupancies of 0.50.

5-Amino-4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile

2006 ◽  
Vol 62 (7) ◽  
pp. o3090-o3091
Author(s):  
Shu-Yan Li ◽  
Ping Zhong ◽  
Mao-Lin Hu ◽  
Jin-Hai Li
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Compound C

In the title compound, C11H4Cl3F3N4, the dihedral angle between the pyrazole and the N-substituted benzene ring planes is 84.5 (2)°. The crystal structure is stabilized by N—H...N hydrogen bonds.

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