scholarly journals Crystal structure of 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine: the acaricide clofentezine

2014 ◽  
Vol 70 (10) ◽  
pp. o1135-o1135 ◽  
Author(s):  
Gihaeng Kang ◽  
Seonghwa Cho ◽  
Sangjin Lee ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Inversion Symmetry ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Normal Distance

The whole molecule of the title compound, C14H8Cl2N4, is generated by inversion symmetry. The dihedral angle between the 2-chlorophenyl ring and the tetrazine ring is 47.65 (5)°. In the crystal, molecules are linked by slipped parallel π–π interactions [centroid–centroid distance = 3.8199 (5), normal distance = 3.3127 (8), slippage 1.902 Å] forming columns along thea-axis direction.

scholarly journals Crystal structure of [1,1′-biphenyl]-2,2′-dicarbonitrile

2015 ◽  
Vol 71 (6) ◽  
pp. o430-o430
Author(s):  
Gihaeng Kang ◽  
Tae Ho Kim ◽  
Youngeun Jeon ◽  
Jineun Kim
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Rotation Axis ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Normal Distance ◽  
Phenyl Rings

The complete molecule of the title compound, C14H8N2, is generated by a twofold rotation axis located at the midpoint of the biphenyl C—C bond. The dihedral angle between the symmetry-related phenyl rings is 46.16 (3)°. In the crystal, molecules are linked by slipped parallel π–π interactions [centroid–centroid distance = 3.9451 (7) Å, normal distance = 3.6293 (5) Å, slippage 1.547 Å], forming columns along theb-axis direction.

scholarly journals Crystal structure of (E)-N′-(3-fluoro-2-hydroxybenzylidene)isonicotinohydrazide

2017 ◽  
Vol 73 (8) ◽  
pp. 1151-1153
Author(s):  
Suwadee Jiajaroen ◽  
Kittipong Chainok ◽  
Filip Kielar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Motif

In the title compound, C13H10FN3O2, the molecule has an E conformation with respect to the C=N bond of the hydrazone bridge. The dihedral angle between the isonicotinoyl and fluorophenol moieties is 4.03 (4)°, and an intramolecular O—H...N hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked by N—H...N and C—H...N hydrogen bonds, forming chains propagating along the a-axis direction. The chains are linked by C—H...O hydrogen bonds, resulting in the formation of layers lying parallel to the ab plane. The crystal structure also features π–π interactions [centroid-to-centroid distance = 3.6887 (8) Å].

scholarly journals Crystal structure of 5-chloro-2,7-dimethyl-3-[(4-methylphenyl)sulfonyl]-1-benzofuran

2014 ◽  
Vol 70 (9) ◽  
pp. o1018-o1019 ◽  
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C17H15ClO3S, the dihedral angle between the planes of the benzofuran ring system [r.m.s. deviation = 0.008 Å] and the 4-methylphenyl ring is 77.29 (4)°. In the crystal, molecules are linked by π–π interactions between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.847 (2) Å] and between the benzene and furan rings of neighbouring molecules [centroid–centroid distance = 3.743 (2) Å]. The molecules are stacked along thea-axis direction. In addition, pairs of C—H...O hydrogen bonds are observed between inversion-related dimers: these generateR22(12) loops.

scholarly journals Crystal structure of 3-(2-bromophenylsulfonyl)-2,5,7-trimethyl-1-benzofuran

2014 ◽  
Vol 70 (11) ◽  
pp. o1152-o1152 ◽  
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance

In the title compound, C17H15BrO3S, the dihedral angle between the planes of the benzofuran ring system [r.m.s. deviation = 0.016 (2) Å] and the 2-bromophenyl ring is 82.93 (6)°. In the crystal, molecules are linkedviapairs of C—H...π hydrogen bonds and π–π interactions between the benzene and furan rings of neighbouring molecules [centroid–centroid distance = 3.881 (2) Å] into inversion-related dimers along theb-axis direction. These dimers are further linked by short Br...O [3.185 (2) Å] contacts.

scholarly journals Crystal structure of ({4-[(4-bromophenyl)ethynyl]-3,5-diethylphenyl}ethynyl)triisopropylsilane

2015 ◽  
Vol 71 (5) ◽  
pp. o321-o322
Author(s):  
Caiyun Shu ◽  
Graeme J. Moxey ◽  
Adam Barlow ◽  
Mahbod Morshedi
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Sonogashira Coupling ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Perpendicular Distance ◽  
Centroid Distance ◽  
Phenyl Rings

The title compound, C29H37BrSi, was synthesized by the Sonogashira coupling of [(3,5-diethyl-4-ethynylphenyl)ethynyl]triisopropylsilane with 4-bromo-1-iodobenzene. In the structure, the two phenyl rings are nearly parallel to each other with a dihedral angle of 4.27 (4)°. In the crystal, π–π interactions between the terminal and central phenyl rings of adjacent molecules link them in thea-axis direction [perpendicular distance = 3.5135 (14); centroid–centroid distance = 3.7393 (11) Å]. In addition, there are weak C—H...π interactions between the isopropyl H atoms and the phenyl rings of adjacent molecules.

scholarly journals Crystal structure of (4E)-4-(8-methoxy-2H-chromen-2-ylidene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one

2015 ◽  
Vol 71 (6) ◽  
pp. o414-o415
Author(s):  
Muhammad Salim ◽  
Munawar Ali Munawar ◽  
Muhammad Nawaz Tahir ◽  
Muhammad Shahid ◽  
Khizar Iqbal Malik
Keyword(s):  
Crystal Structure ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Heterocyclic Ring ◽  
Phenyl Substituent ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance

In the title compound, C20H16N2O3, the phenyl substituent attached to the pyrazole ring makes a dihedral angle of 4.87 (7)° with the rest of the molecule. In the crystal, molecules are connected into inversion dimers of theR22(14) type by pairs of C—H...O interactions. π–π interactions exist between the benzene and pyrazole rings at a distance of 3.701 (1) Å. Similarly, π–π interactions are present at a centroid–centroid distance of 3.601 (1) Å between the oxygen-containing heterocyclic ring and methoxy substituted aromatic ring of a neighbouring molecule. Additional C—H...π and C=O...π interactions are also observed.

scholarly journals 5-Chloro-3-(4-fluorophenylsulfonyl)-2,7-dimethyl-1-benzofuran

2014 ◽  
Vol 70 (9) ◽  
pp. o1065-o1066
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance

In the title compound, C16H12ClFO3S, the dihedral angle between the plane of the benzofuran ring system [r.m.s. deviation = 0.007 (1) Å] and that of the 4-fluorophenyl ring is 76.11 (5)°. In the crystal, molecules are linked into [010] chainsviatwo different inversion-generated pairs of C—H...O hydrogen bonds. The crystal structure also exhibits weak π–π interactions between the benzene and furan rings of neighbouring molecules [centroid–centroid distance = 3.820 (2) Å].

scholarly journals Crystal structure of 9-methacryloylanthracene

2015 ◽  
Vol 71 (4) ◽  
pp. 357-359 ◽  
Author(s):  
Aditya Agrahari ◽  
Patrick O. Wagers ◽  
Steven M. Schildcrout ◽  
John Masnovi ◽  
Wiley J. Youngs
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Side Chain ◽  
Weak Hydrogen Bond ◽  
Axis Direction ◽  
Compound C ◽  
Centroid Distance

In the title compound, C18H14O, with systematic name 1-(anthracen-9-yl)-2-methylprop-2-en-1-one, the ketonic C atom lies 0.2030 (16) Å out of the anthryl-ring-system plane. The dihedral angle between the planes of the anthryl and methacryloyl moieties is 88.30 (3)° and the stereochemistry about the Csp2—Csp2bond in the side chain istransoid. In the crystal, the end rings of the anthryl units in adjacent molecules associate in parallel–planar orientations [shortest centroid–centroid distance = 3.6320 (7) Å]. A weak hydrogen bond is observed between an aromatic H atom and the O atom of a molecule displaced by translation in thea-axis direction, forming sheets of parallel-planar anthryl groups packing in this direction.

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].

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.

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