scholarly journals Crystal structure of (2Z)-2-{(5Z)-5-[3-fluoro-2-(4-phenylpiperidin-1-yl)benzylidene]-4-oxo-3-(p-tolyl)-1,3-thiazolidin-2-ylidene}-N-(p-tolyl)ethanethioamide dimethyl sulfoxide monosolvate

2015 ◽  
Vol 71 (10) ◽  
pp. o745-o746
Author(s):  
Liliya Khamidullina ◽  
Konstantin Obydennov ◽  
Pavel Slepukhin ◽  
Yury Morzherin
Keyword(s):  
Hydrogen Bonds ◽  
Dimethyl Sulfoxide ◽  
Benzene Ring ◽  
Knoevenagel Condensation ◽  
Solvent Molecule ◽  
Dihedral Angles ◽  
Compound C ◽  
Thioamide Group ◽  
Dimensional Network ◽  
Thiazolidine Ring

The title compound, C37H34FN3OS2·C2H6OS, was obtained by the Knoevenagel condensation. The thiazolidine ring is essentially planar (r.m.s. deviation = 0.025 Å) and forms dihedral angles of 4.2 (3), 68.60 (14) and 39.57 (15)° with the attached thioamide group,p-tolyl group benzene ring and fluoro-substituted benzene ring, respectively. The exocyclic double bonds are in aZconfiguration. In the crystal, the dimethyl sulfoxide solvent molecule is connected to the main moleculeviaan N—H...O hydrogen bond. Weak C—H...O hydrogen bonds link the components of the structure into a two-dimensional network parallel to (10-1). Weak intramolecular C—H...S hydrogen bonds are also observed. The crystal is an inversion twin with a ratio of twin components 0.78 (2):0.22 (6).

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 3-(4-Chlorophenyl)-5-[4-(methylsulfanyl)phenyl]-1H-pyrazole

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Ganesan Suresh ◽  
Sarangapani Muniraj
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network

In the title compound, C16H13ClN2S, the pyrazole ring is almost planar with an r.m.s. deviation of 0.0457 Å which forms dihedral angles of 2.875 (4) and 84.83 (7)° with the chloro-substituted benzene ring and the methylsulfanyl-substituted ring, respectively. In the crystal, N—H...N and C—H...Cl hydrogen bonds contribute to the formation of a three-dimensional network. In addition, several offset π–π stacking interactions are also present.

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 7′-Phenyl-1′,3′,5′,6′,7′,7a'-hexahydrodipiro[acenaphthylene-1,5′-pyrrolo[1,2-c]thiazole-6′,2′′-indane]-2,1′′(1H)-dione

2012 ◽  
Vol 68 (4) ◽  
pp. o1265-o1266 ◽  
Author(s):  
Ang Chee Wei ◽  
Mohamed Ashraf Ali ◽  
Tan Soo Choon ◽  
Suhana Arshad ◽  
Ibrahim Abdul Razak
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Thiazole Ring ◽  
Dihedral Angles ◽  
Pyrrolidine Ring ◽  
Π Interactions ◽  
Compound C ◽  
The Mean ◽  
Thiazolidine Ring

In the title compound, C31H23NO2S, the pyrrolidine ring adopts an envelope conformation (with the spiro C atom as the flap), while the thiazolidine ring and the two cyclopentane rings adopt twisted conformations. The mean plane through the hexahydropyrrolo[1,2-c]thiazole ring [r.m.s deviation = 0.400 (1) Å] forms dihedral angles of 76.83 (4), 80.70 (5) and 79.00 (4)° with the benzene ring and the mean planes of the dihydroacenaphthylene and the dihydroindene rings, respectively. In the crystal, molecules are linked by C—H...O hydrogen bonds into sheets lying parallel to thebcplane. One of the ketone O atoms accepts three such bonds. Weak C—H...π interactions are also observed.

scholarly journals 4′-Cyanobiphenyl-4-yl 7-diethylamino-2-oxo-2H-chromene-3-carboxylate

2013 ◽  
Vol 69 (2) ◽  
pp. o266-o266 ◽  
Author(s):  
S. Sreenivasa ◽  
H. T. Srinivasa ◽  
B. S. Palakshamurthy ◽  
Vijith Kumar ◽  
H. C. Devarajegowda
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network ◽  
Diethylamino Group ◽  
Coumarin Ring

In the title compound, C27H22N2O4, the dihedral angles between the central benzene ring and the cyanobenzene ring and the 2H-coumarin ring system (r.m.s. deviation = 0.014 Å) are 22.95 (11) and 75.59 (8)°, respectively. Both terminal C atoms of the pendant diethylamino group lie to the same side of the coumarin ring system [deviations = 1.366 (2) and 1.266 (2) Å]. In the crystal, molecules are linked by C—H...O and C—H...N hydrogen bonds and a C—H...π interaction, generating a three-dimensional network.

scholarly journals 9-(3,4-Dimethoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

2013 ◽  
Vol 69 (2) ◽  
pp. o297-o298 ◽  
Author(s):  
Rajni Kant ◽  
Vivek K. Gupta ◽  
Kamini Kapoor ◽  
D. R. Patil ◽  
D. R. Chandam ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Boat Conformation ◽  
Minor Components ◽  
Asymmetric Unit ◽  
Central Ring ◽  
Compound C ◽  
Dimensional Network

The asymmetric unit of the title compound, C25H31NO4, contains two independent molecules. In one molecule, the benzene ring and an attached methoxy group were refined as disordered over two sets of sites in a 0.65 (4): 0.35 (4) ratio. In both molecules, the central ring of the acridinedione system adopts a flattened boat conformation. The four essentially planar atoms of this ring [maximum deviations = 0.006 (5) Å in both molecules] forms dihedral angles of 86.8 (2) and 87.6 (2)°, respectively, with the major and minor components in the disordered benzene ring and 87.3 (2)° with the benzene ring in the fully ordered molecule. The two outer rings of the acridinedione system adopt sofa conformations in both molecules. In the crystal, N—H...O hydrogen bonds form two independent chains along [100]. C—H...O hydrogen bonds link the chains, forming 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 2-(5-Bromo-1H-indol-3-yl)-4-(4-bromophenyl)-5-(4-chlorobenzoyl)-1H-pyrrole-3-carbonitrile dimethyl sulfoxide monosolvate

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
Y. AaminaNaaz ◽  
Jayabal Kamalraja ◽  
G. Vimala ◽  
Paramasivam T. Perumal ◽  
A. SubbiahPandi
Keyword(s):  
Hydrogen Bonds ◽  
Dimethyl Sulfoxide ◽  
Intermolecular Interactions ◽  
Pyrrole Ring ◽  
Solvent Molecule ◽  
Dihedral Angles ◽  
Indole Ring ◽  
Compound C

In the title solvated compound, C26H14Br2ClN3O·C2H6OS, the indole ring is inclined to the central pyrrole ring by 25.7 (2)°. The chlorobenzene ring and the bromobenzene rings subtend dihedral angles of 56.5 (2) and 53.4 (2)°, respectively, with the central pyrrole ring. In the crystal, molecules are bridged by N—H...O hydrogen bonds, involving the dimethyl sulfoxide solvent molecule, forming chains along [010]. There are no other significant intermolecular interactions present.

scholarly journals Crystal structure of 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]benzo[de]isoquinoline-1,3-dione dimethyl sulfoxide monosolvate

2015 ◽  
Vol 71 (2) ◽  
pp. o129-o130 ◽  
Author(s):  
Ísmail Çelik ◽  
Mehmet Akkurt ◽  
Aliasghar Jarrahpour ◽  
Javad Ameri Rad ◽  
Ömer Çelik
Keyword(s):  
Dimethyl Sulfoxide ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Stacking Interactions ◽  
Ring Plane ◽  
Compound C ◽  
Dimensional Network ◽  
Lactam Ring

In the title solvated compound, C28H19N2O4·C2H6OS, the central β-lactam ring is almost planar (r.m.s. deviation = 0.002 Å). It makes dihedral angles of 1.92 (11), 83.23 (12) and 74.90 (10)° with the methoxy- and chlorophenyl rings and the ring plane of the 1H-benzo[de]isoquinoline-1,3(2H)-dione group [maximum deviation = 0.089 (1)], respectively. An intramolecular C—H...O hydrogen bond closes anS(6) ring and helps to establish the near coplanarity of the β-lactam and methoxybenzene rings. In the crystal, the components are linked by C—H...O hydrogen bonds, C—H...π interactions and aromatic π–π stacking interactions [centroid-to-centroid distances = 3.6166 (10) and 3.7159 (10) Å], resulting in a three-dimensional network, The dimethyl sulfoxide solvent molecule is disordered over two sets of sites in a 0.847 (2):0.153 (2) ratio.

scholarly journals 2,4-Dichloro-N-(2,5-dioxopyrrolidin-1-yl)benzamide

IUCrData ◽  
2018 ◽  
Vol 3 (12) ◽  
Author(s):  
Jigmat Stondus ◽  
Sumati Anthal ◽  
S. Karanth ◽  
B. Narayana ◽  
B. K. Sarojini ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Least Squares ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
Dimensional Network ◽  
Amide Fragment

In the title compound, C11H8Cl2N2O3, the plane of the pyrrolidine ring (r.m.s. deviation = 0.065 Å) makes a dihedral angle of 52.9 (2)° with the plane of the benzene ring. The least-squares plane of the central amide fragment makes dihedral angles of 49.3 (7) and 77.9 (7)° with those of the benzene and pyrrolidine rings, respectively. In the crystal, molecules are linked via N—H...O hydrogen bonds, forming chains along the b-axis direction. π–π interactions link these chains into a two-dimensional network parallel to (100).

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