scholarly journals Methyl 3′-benzyl-4′-(2,4-dichlorophenyl)-1′-methyl-2-oxospiro[indoline-3,2′-pyrrolidine]-3′-carboxylate

2014 ◽  
Vol 70 (3) ◽  
pp. o335-o335 ◽  
Author(s):  
S. Karthikeyan ◽  
P. Narayanan ◽  
K. Sethusankar ◽  
Anthonisamy Devaraj ◽  
Manickam Bakthadoss
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Maximum Deviation ◽  
Indole Ring ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
The Mean

In the title compound, C27H24Cl2N2O3, the indole ring system is essentially planar, with a maximum deviation of 0.082 (2) Å for the carbonyl C atom. It makes a dihedral angle of 88.53 (6)° with the mean plane of the 4-methylpyrrolidine ring, which adopts an envelope conformation with the N atom at the flap position. The molecular structure is stabilized by intramolecular C—H...O hydrogen bonds, which generateS(6) andS(7) ring motifs, and an intramolecular π–π interaction involving the benzyl and dichloro-substituted benzene rings [centroid–centroid distance = 3.6291 (11) Å]. In the crystal, molecules are linkedviaN—H...O hydrogen bonds, formingC(7) chains running parallel to [10-1].

scholarly journals 5-Fluoro-2-methyl-3-(3-methylphenylsulfonyl)-1-benzofuran

2014 ◽  
Vol 70 (4) ◽  
pp. o482-o482
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
The Mean

In the title compound, C16H13FO3S, the dihedral angle between the mean planes of the benzofuran ring system and the 3-methylphenyl ring is 80.96 (4)°. In the crystal, molecules are linkedviapairs of π–π interactions between furan and benzene rings, with centroid–centroid distances of 3.758 (1) and 3.771 (1) Å. A similar interaction is found between furan rings, with a centroid–centroid distance of 3.661 (1) Å between neighbouring molecules. The molecules stack along thea-axis direction. In addition, C—H...O and C—H...π hydrogen bonds are observed between inversion-related dimers.

scholarly journals (E)-1-[2-(4-Fluoro-2-nitrostyryl)-1-phenylsulfonyl-1H-indol-3-yl]propan-1-one

2013 ◽  
Vol 69 (12) ◽  
pp. o1780-o1780
Author(s):  
M. Umadevi ◽  
V. Saravanan ◽  
R. Yamuna ◽  
A. K. Mohanakrishnan ◽  
G. Chakkaravarthi
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Indole Ring ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

In the title compound, C25H19FN2O5S, the substituted phenyl ring makes a dihedral angle of 12.26 (9)° with the indole ring system. The nitro group is twisted at an angle of 26.92 (8)° out of the plane of the ring to which it is attached. The molecular structure is stabilized by weak C—H...O hydrogen bonds. In the crystal, weak C—H...O, C—H...F and π–π [centroid–centroid distance = 3.6645 (11) Å] interactions link the molecules, forming a three-dimensional network.

scholarly journals (5,7-Dimethyl-2-oxo-2H-chromen-4-yl)methyl diethyldithiocarbamate

2012 ◽  
Vol 68 (6) ◽  
pp. o1657-o1657 ◽  
Author(s):  
K. Mahesh Kumar ◽  
H. C. Devarajegowda ◽  
S Jeyaseelan ◽  
N. M. Mahabaleshwaraiah ◽  
O. Kotresh
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Maximum Deviation ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean ◽  
Coumarin Ring

In the title compound, C17H21NO2S2, the coumarin ring system is nearly planar, with a maximum deviation of 0.080 (2) Å from the mean plane. An intramolecular C—H...S hydrogen bond occurs. The crystal structure features C—H...S hydrogen bonds and weak π–π interactions with a centroid–centroid distance of 3.679 (1) Å.

scholarly journals 5-Bromo-2,4,6-trimethyl-3-(3-methylphenylsulfinyl)-1-benzofuran

2014 ◽  
Vol 70 (4) ◽  
pp. o435-o435
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Benzene Rings ◽  
The Mean

In the title compound, C18H17BrO2S, the dihedral angle between the mean plane of the benzofuran ring system and the benzene ring is 68.58 (4)°. In the crystal, molecules are linkedviapairs of C—H...O hydrogen bonds into inversion dimers. These dimers are linked by C—H...O hydrogen bonds and π–π interactions between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.783 (1) Å], forming a three-dimensional network. In addition, the stacked molecules exhibit inversion-related S...O contacts [3.153 (1) Å] involving the sulfinyl groups.

scholarly journals Propyl 2-(1H-indol-3-yl)acetate

2013 ◽  
Vol 69 (11) ◽  
pp. o1686-o1686
Author(s):  
Guo-Min Tang ◽  
Wei Xu
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Acetate Group ◽  
Maximum Deviation ◽  
Indole Ring ◽  
Compound C ◽  
The Mean

In the title compound, C13H15NO2, the acetate group [C—C(=O)—O] makes a dihedral angle of 62.35 (13)° with the mean plane of the indole ring system [maximum deviation = 0.011 (3) Å]. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming helical chains propagating along [010].

scholarly journals Methyl 3′-benzyl-4′-(2,4-dichlorophenyl)-1′-methyl-2-oxo-1-propylspiro[indoline-3,2′-pyrrolidine]-3′-carboxylate

2014 ◽  
Vol 70 (3) ◽  
pp. o272-o272
Author(s):  
S. Karthikeyan ◽  
K. Sethusankar ◽  
Anthonisamy Devaraj ◽  
Manickam Bakthadoss
Keyword(s):  
Molecular Structure ◽  
Pyrrole Ring ◽  
Ring System ◽  
Maximum Deviation ◽  
Indole Ring ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean ◽  
Ring Motif

In the title compound, C30H30Cl2N2O3, the indole ring system is roughly planar, with a maximum deviation of 0.1039 (18) Å for the carbonyl C atom, and makes a dihedral angle of 86.61 (9)° with the mean plane of the pyrrolidine ring. This spiro pyrrolidine ring adopts an envelope conformation with the N atom at the flap position. The pyrrole ring of the indole ring system adopts a twisted conformation on the C—C(=O) bond. The molecular structure is stabilized by an intramolecular C—H...O hydrogen bond, which generates anS(6) ring motif, and a π–π interaction [centroid–centroid distance = 3.6577 (12) Å] involving the 2,4-dichlorophenyl ring and the benzyl ring. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, formingC(9) chains running parallel to [10-1].

scholarly journals 2-Thioureido-1H-benzimidazol-3-ium chloride monohydrate

2014 ◽  
Vol 70 (5) ◽  
pp. o553-o553
Author(s):  
C. N. Sundaresan ◽  
Dheeraj Kumar Singh ◽  
Jagadeesh Babu Nanubolu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Water Molecules ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
The Mean ◽  
Chloride Monohydrate

In the title compound, C8H9N4S+·Cl−·H2O, the cation is approximately planar, with a dihedral angle of 7.71 (8)° between the mean planes of the benzoimidazole ring system and the thiourea unit. In the crystal, cations, anions and water molecules of crystallization are linked by O—H...Cl, N—H...O, N—H...Cl and N—H...S hydrogen bonds into a three-dimensional network. π–π stacking is observed between the benzene and imidazole rings of neighbouring molecules, the centroid–centroid distance being 3.5774 (11) Å.

scholarly journals (7-Chloro-2-oxo-2H-chromen-4-yl)methyl pyrrolidine-1-carbodithioate

2013 ◽  
Vol 69 (11) ◽  
pp. o1684-o1685
Author(s):  
O. Kotresh ◽  
H. C. Devarajegowda ◽  
Arunkumar Shirahatti ◽  
K. Mahesh Kumar ◽  
N. M. Mahabhaleshwaraiah
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Interplanar Spacing ◽  
Ring System ◽  
Maximum Deviation ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
Centroid Distance ◽  
Chromene Ring

In the title compound, C15H14ClNO2S2, the 2H-chromene ring system is essentially planar, with a maximum deviation of 0.0133 (10) Å. Three C atoms and their attached H atoms of the pyrrolidine ring are disordered [occupany ratio 0.874 (7):0.126 (7)] with both disorder components adopting a twisted conformation. The dihedral angle between the 2H-chromene ring system and the major occupancy component of the pyrrolidine ring is 89.45 (7)°. In the crystal, inversion dimers linked by pairs of C—H...S and C—H...O interactions generateR22(24) andR22(10) loops, respectively. Further C—H...O hydrogen bonds link the dimers into [100] chains. C—H...π interactions also occur and there is very weak π–π stacking [interplanar spacing = 3.650 (5) Å; centroid–centroid distance = 4.095 (7) Å] between inversion-related chlorobenzene rings.

scholarly journals 2-(4,5-Dimethoxy-2-nitrophenyl)-4-methoxy-9-phenylsulfonyl-9H-carbazole-3-carbaldehyde

2014 ◽  
Vol 70 (4) ◽  
pp. o424-o425 ◽  
Author(s):  
P. Narayanan ◽  
K. Sethusankar ◽  
Velu Saravanan ◽  
Arasambattu K. Mohanakrishnan
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Ring System ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Compound C ◽  
Ring Motif

In the title compound, C28H22N2O8S, the carbazole ring system is roughly planar, with a maximum deviation of 0.084 (3) Å for the C atom connected to the 4,5-dimethoxy-2-nitrophenyl ring. The dihedral angle between the carbazole system and the dimethoxy-substituted nitrophenyl ring is 57.05 (10)°. The aldehyde C atom deviates by 0.164 (5) Å from its attached carbazole ring system. The molecular structure is stabilized by C—H...O interactions which generate twoS(6) and oneS(7) ring motif. In the crystal, molecules are linked by C—H...O hydrogen bonds, formingR33(15) ring motifs, which are further crosslinked byR32(19) ring motifs, resulting in (002) layers. The crystal packing also features C—H...π interactions.

scholarly journals Crystal structure of 4-allylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine

2014 ◽  
Vol 70 (9) ◽  
pp. o1038-o1038 ◽  
Author(s):  
Mohammed El Fal ◽  
Youssef Ramli ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyrimidine Ring ◽  
Ring System ◽  
Maximum Deviation ◽  
Compound C ◽  
The Mean ◽  
Graph Set

In the title compound, C8H8N4S, the pyrazolo[3,4-d]pyrimidine ring system is essentially planar, with a maximum deviation from the mean plane of 0.025 (3) Å. The allyl group is disordered over two sites in a 0.512 (6):0.488 (6) ratio. In the crystal, molecules are linked by pairs of N—H...N hydrogen bonds, forming inversion dimers with anR22(8) graph-set motif.

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