2-[(E)-2-(4-Methoxyphenyl)ethenyl]-1-methylquinolinium 4-bromobenzenesulfonate

2006 ◽  
Vol 62 (7) ◽  
pp. o2725-o2727 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Pinanong Rodwatcharapiban ◽  
Boonwasana Jindawong ◽  
Suchada Chantrapromma
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Dimensional Chain ◽  
One Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the title compound C19H18NO+·C6H4BrSO3 −, the cation is almost planar. The benzene ring of the anion makes dihedral angles of 84.23 (12) and 84.59 (15)°, respectively, with the quinolinium group and the benzene ring of the cation. The cations and anions are arranged in an alternating one-dimensional chain along the b axis, and these chains are interconnected through C—H...O and C—H...Br interactions to form a three-dimensional network. C—H...π interactions are also observed in the crystal structure.

scholarly journals Crystal structure of oryzalin

2015 ◽  
Vol 71 (6) ◽  
pp. o429-o429 ◽  
Author(s):  
Gihaeng Kang ◽  
Jineun Kim ◽  
Youngeun Jeon ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Ring Plane ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean

The title compound, C12H18N4O6S (systematic name: 4-dipropylamino-3,5-dinitrobenzenesulfonamide), is a sulfonamide with herbicidal properties marketed as oryzalin. The dihedral angles between the benzene ring and the mean planes of the nitro groups are 26.15 (11) and 54.80 (9)°. The propyl arms of the dipropylamino substituent lie on opposite sides of this ring plane. In the crystal, N—H...O and C—H...O hydrogen bonds generate a three-dimensional network.

scholarly journals Crystal structure of 3-(2-nitrophenyl)-1-(1-phenylsulfonyl-1H-indol-3-yl)propan-1-one

2015 ◽  
Vol 71 (11) ◽  
pp. o892-o893
Author(s):  
M. Umadevi ◽  
Potharaju Raju ◽  
R. Yamuna ◽  
Arasambattu K. Mohanakrishnan ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dihedral Angles ◽  
Indole Ring ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

In the title compound, C23H18N2O5S, the phenyl and benzene rings subtend dihedral angles of 78.18 (10) and 30.18 (9)°, respectively, with the indole ring system (r.m.s. deviation = 0.022 Å). The crystal structure features weak C—H...O and C—H...π interactions, which link the molecules into a three-dimensional network.

scholarly journals Crystal structure of (4Z)-1-(3,4-dichlorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one

2014 ◽  
Vol 70 (10) ◽  
pp. o1136-o1137 ◽  
Author(s):  
Naresh Sharma ◽  
Sanjay Parihar ◽  
R. N. Jadeja ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Three Dimensional ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

The title compound, C18H14Cl2N2O2, crystallizes with two molecules,AandB, in the asymmetric unit. In moleculeA, the dihedral angles between the central pyrazole ring and pendant dichlorobenzene andp-tolyl rings are 2.18 (16) and 46.78 (16)°, respectively. In moleculeB, the equivalent angles are 27.45 (16) and 40.45 (18)°, respectively. Each molecule features an intramolecular O—H...O hydrogen bond, which closes anS(6) ring and moleculeAalso features a C—H...O interaction. In the crystal, weak C—H...π interactions and aromatic π–π stacking [shortest centroid–centroid separation = 3.707 (2) Å] generate a three-dimensional network.

scholarly journals (E)-4-(Benzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethylidene)aniline hemihydrate

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Li Hong ◽  
Zhang Xin
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Benzothiazole Derivative ◽  
Compound C ◽  
Dimensional Network

The title compound, C19H13N3S·0.5H2O, is a benzothiazole derivative that crystallized as a hemihydrate, the water O atom being situated on a twofold rotation axis. The dihedral angles between the central benzene ring and the benzothiazole (r.m.s. deviation = 0.012 Å) and pyridine rings are 3.57 (6) and 10.12 (8)°, respectively, indicating that the molecule is nearly planar. The conformation about the N=C bond is E. In the crystal, molecules are linked by Owater—H...Npyridine hydrogen bonds, forming dimers, which in turn are linked by C—H...O hydrogen bonds into layers parallel to the ab plane. The layers are linked by offset π–π interactions, forming a three-dimensional network [shortest intercentroid distance = 3.721 (2) Å].

scholarly journals Crystal structure of 4-methoxyphenyl 2-oxo-2H-chromene-3-carboxylate

2015 ◽  
Vol 71 (6) ◽  
pp. o374-o375 ◽  
Author(s):  
H.C. Devarajegowda ◽  
P. A. Suchetan ◽  
S. Sreenivasa ◽  
H. T. Srinivasa ◽  
B. S. Palakshamurthy
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Coumarin Ring

In the title compound, C17H12O5, the dihedral angle between the planes of the coumarin ring system (r.m.s. deviation = 0.015 Å) and the benzene ring is 48.04 (10)°. The central CO2group subtends a dihedral angle of 27.15 (11)° with the coumarin ring system and 74.86 (13)° with the benzene ring. In the crystal, molecules are linked by C—H...O interactions, which generate a three-dimensional network. Very weak C—H...π interactions are also observed.

scholarly journals Crystal structure of fenbuconazole

2015 ◽  
Vol 71 (9) ◽  
pp. o680-o681
Author(s):  
Gihaeng Kang ◽  
Jineun Kim ◽  
Hyunjin Park ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Torsion Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Π Interactions ◽  
Compound C

In the title compound, C19H17ClN4[systematic name: (RS)-4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile], which is the conazole fungicide fenbuconazole, the dihedral angles between the planes of the central benzene and the terminal chlorophenyl and triazole rings are 32.77 (5) and 32.97 (5)°, respectively. The C—C—C—C linkage between the tertiary C atom and the benzene ring has anantiorientation [torsion angle = 174.47 (12)°]. In the crystal, C—H...N hydrogen bonds and very weak C—Cl...π interactions [Cl...π = 3.7892 (9) Å] link adjacent molecules, forming two-dimensional networks lying parellel to the (101) plane. The planes are linked by weak π–π interactions [centroid–centroid separation = 3.8597 (9) Å], resulting in a three-dimensional architecture.

scholarly journals Crystal structure of 2-bromo-4,6-dinitroaniline

2015 ◽  
Vol 71 (11) ◽  
pp. o813-o813
Author(s):  
Gihaeng Kang ◽  
Tae Ho Kim ◽  
Eui-Jae Lee ◽  
Chang Ho Kang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Additional Stability ◽  
Weak Side

In the title compound, C6H4BrN3O4, the dihedral angles between the nitro groups and the aniline ring are 2.04 (3) and 1.18 (4)°, respectively. In the crystal, N—H...O and C—H...O hydrogen bonds and weak side-on C—Br...π interactions [3.5024 (12) Å] link adjacent molecules, forming a three-dimensional network. A close O...Br contact [3.259 (2) Å] may also add additional stability.

scholarly journals Crystal structure of 5-(furan-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine

2015 ◽  
Vol 71 (11) ◽  
pp. o880-o881 ◽  
Author(s):  
Santosh Paswan ◽  
Manoj K. Bharty ◽  
Sanyucta Kumari ◽  
Sushil K. Gupta ◽  
Nand K. Singh
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Furan Ring ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

The title compound, C12H9N3O2, was obtained as a cyclized oxadiazole derivative from substituted thiosemicarbazide in the presence of manganese(II) acetate. The furan ring is disordered over two orientations, with occupancies of 0.76 (2) and 0.24 (2). The dihedral angles between the central oxadiazole ring and the pendant phenyl ring and furan ring (major disorder component) are 3.34 (18) and 5.7 (6)°, respectively. A short intramolecular C—H...O contact generates anS(6) ring. In the crystal, inversion dimers linked by pairs of N—H...N hydrogen bonds generateR22[8] loops. The dimers are linked by C—H...π and π–π interactions [range of centroid–centroid distances = 3.291 (2)–3.460 (8) Å], generating a three-dimensional network.

scholarly journals 4-Fluoro-N-(4-hydroxybenzylidene)aniline

2014 ◽  
Vol 70 (8) ◽  
pp. o860-o860
Author(s):  
L. Jothi ◽  
G. Anuradha ◽  
G. Vasuki ◽  
R. Ramesh Babu ◽  
K. Ramamurthi
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Schiff Bases ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Axis Direction ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings

In the title compound, C13H10FNO, the benzene ring planes are inclined at an angle of 50.52 (8)°. A characteristic of aromatic Schiff bases withN-aryl substituents is that the terminal phenyl rings are twisted relative to the plane of the HC=N link between them. In this case, the HC=N unit makes dihedral angles of 10.6 (2) and 40.5 (2)° with the hydroxybenzene and flurobenzene rings, respectively. In the crystal, O—H...N and C—H...F hydrogen bonds lead to the formation of chains along thec-andb-axis directions, respectively. C—H...π contacts link molecules alongaand these contacts combine to generate a three-dimensional network with molecules stacked along theb-axis direction.

scholarly journals Crystal structure ofN-{4-[(6-chloropyridin-3-yl)methoxy]phenyl}-2,6-difluorobenzamide

2016 ◽  
Vol 72 (1) ◽  
pp. 60-62 ◽  
Author(s):  
Ying Liang ◽  
Li-Qiao Shi ◽  
Zi-Wen Yang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C

In the title compound, C19H13ClF2N2O2, the conformation of the N—H bond in the amide segment isantito the C=O bond. The molecule is not planar, with dihedral angles between the central benzene ring and the outer benzene and pyridyl rings of 73.35 (7) and 81.26 (6)°, respectively. A weak intramolecular C—H...O hydrogen bond occurs. In the crystal, N—H...N, C—H...O and C—H...F hydrogen bonds lead to the formation of dimers. The N—H...N inversion dimers are linked by π–π contacts between adjacent pyridine rings [centroid–centroid = 3.8541 (12) Å] and C—H...π interactions. These contacts combine to stack the molecules along theaaxis.

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