scholarly journals Crystal structure of metobromuron

2015 ◽  
Vol 71 (8) ◽  
pp. o589-o589
Author(s):  
Gihaeng Kang ◽  
Jineun Kim ◽  
Eunjin Kwon ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Two Dimensional ◽  
Axis Direction ◽  
Π Interactions ◽  
Phenylurea Herbicide ◽  
Dimensional Network ◽  
Urea Group

The title compound [systematic name: 3-(4-bromophenyl)-1-methoxy-1-methylurea], C9H11BrN2O2, is a phenylurea herbicide. The dihedral angle between the plane of the urea group and that of the bromophenyl ring is 39.13 (10)°. In the crystal, N—H...O and C—H...O hydrogen bonds and weak C—H...π interactions link adjacent molecules, forming chains along thea-axis direction. In addition, short intermolecular Br...Br contacts [3.648 (4) Å] are present, resulting in a two-dimensional network extending parallel to (101).

scholarly journals Crystal structure of 2-ethyl-3-(4-fluorophenylsulfonyl)-5,7-dimethyl-1-benzofuran

2014 ◽  
Vol 70 (10) ◽  
pp. 249-251
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Two Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

In the title compound, C18H17FO3S, the dihedral angle between the plane of the benzofuran ring [r.m.s. deviation = 0.006 (1) Å] and that of the 4-fluorophenyl ring [r.m.s. deviation = 0.004 (1) Å] is 82.45 (4)°. In the crystal, molecules are linkedviathree different pairs of C—H...O hydrogen bonds, forming chains along [001] and enclosing twoR22(10) and oneR22(12) ring motifs. The chains are further linked by π–π interactions [inter-centroid distance = 3.566 (1) Å] between the furan rings of inversion-related molecules, forming a two-dimensional network lying parallel to (100).

scholarly journals Crystal structure of ethyl (2S)-9-methoxy-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H- 2,6-methanobenzo[g][1,3,5]oxadiazocine-11-carboxylate

2015 ◽  
Vol 71 (2) ◽  
pp. o117-o118
Author(s):  
A. Dhandapani ◽  
S. Manivarman ◽  
S. Subashchandrabose ◽  
B. Gunasekaran
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Two Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean

In the title compound, C15H18N2O5, the methoxyphenyl ring makes a dihedral angle of 84.70 (12)° with the mean plane of the tetrahydropyrimidin-2(1H)-one ring. Both the pyran and tetrahydropyrimidin-2(1H)-one rings have distorted envelope conformations with the carboxylate-substituted C atom as the flap. In the crystal, molecules are linkedviapairs of N—H...O hydrogen bonds, forming zigzag chains propagating along [010], which encloseR22(8) ring motifs. The chains are linked by C—H...π interactions, forming a two-dimensional network parallel to (100).

scholarly journals Crystal structure of oxadiargyl

2015 ◽  
Vol 71 (7) ◽  
pp. o494-o494 ◽  
Author(s):  
Gihaeng Kang ◽  
Jineun Kim ◽  
Hyunjin Park ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Axis Direction ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Short Contacts

In the title compound {systematic name: 5-tert-butyl-3-[2,4-dichloro-5-(prop-2-ynyloxy)phenyl]-1,3,4-oxadiazol-2(3H)-one}, C15H14Cl2N2O3, which is an oxadiazolone herbicide, the dihedral angle between the planes of the oxadiazolone and benzene rings is 65.84 (6)°. In the crystal, weak intermolecular Cl...Cl [3.3600 (7) Å] short contacts link adjacent molecules, forming chains along theb-axis direction. These chains are linked by C—H...O, C—H...N and C—H...Cl hydrogen bonds, generating a three-dimensional network. Weak C—H...π interactions are also present.

scholarly journals (1E,2E)-2-Methyl-3-phenylacrylaldehyde thiosemicarbazone

2012 ◽  
Vol 68 (6) ◽  
pp. o1840-o1840 ◽  
Author(s):  
Rafael Mendoza-Meroño ◽  
Santiago García-Granda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Two Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Graph Set

In the crystal structure of the title compound, C11H13N3S, molecules form centrosymmetric synthons with an R 2 2(8) graph-set motif, linked by pairs of N—H...S hydrogen bonds. The synthons are connected through further N—H...S hydrogen bonds, extending the packing to form a two-dimensional network lying parallel to (001). In addition, C—H...π interactions are observed.

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 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].

scholarly journals Crystal structure of 4-methyl-N-(4-methylbenzyl)benzenesulfonamide

2020 ◽  
Vol 76 (2) ◽  
pp. 235-238
Author(s):  
Brock A. Stenfors ◽  
Richard J. Staples ◽  
Shannon M. Biros ◽  
Felix N. Ngassa
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Substitution Reaction ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

The title compound, C15H17NO2S, was synthesized via a substitution reaction between 4-methylbenzylamine and p-toluenesulfonyl chloride. In the crystal, N—H...O hydrogen bonds link the molecules, forming ribbons running along the b-axis direction. One of the aromatic rings hosts two intermolecular C—H...π interactions that link these hydrogen-bonded ribbons into a three-dimensional network.

scholarly journals Crystal structure of 5-fluoro-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran

2014 ◽  
Vol 70 (11) ◽  
pp. o1168-o1168
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the title compound, C15H10F2O2S, the dihedral angle between the planes of the benzofuran ring system [r.m.s. deviation = 0.015 (1) Å] and the 3-fluorophenyl ring is 26.60 (5)°. In the crystal, molecules are linked by C—H...O and C—H...F hydrogen bonds, and by π–π interactions between the benzofuran rings of inversion-related molecules [centroid(benzene)–centroid(furan) distance = 3.819 (2) Å], forming a three-dimensional network.

scholarly journals Ethyl 3-[7-ethoxy-6-(4-methoxybenzenesulfonamido)-2H-indazol-2-yl]propanoate

2012 ◽  
Vol 68 (4) ◽  
pp. o931-o931 ◽  
Author(s):  
Najat Abbassi ◽  
Bassou Oulemda ◽  
El Mostapha Rakib ◽  
Detlef Geffken ◽  
Hafid Zouihri
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Two Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

In the title compound, C21H25N3O6S, the dihedral angle between the methoxybenzene and indazole rings is 74.96 (5)°. The crystal packing is stabilized by an N—H...O hydrogen bond into a two-dimensional network. In addition, C—H...π interactions and a π–π contact, with a centroid–centroid distance of 3.5333 (6) Å, are observed. The crystal packing is stabilized by N—H...O and C—H...O hydrogen bonds.

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].

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