scholarly journals Methyl 1-ethyl-3′-[hydroxy(naphthalen-1-yl)methyl]-1′-methyl-2-oxospiro[indoline-3,2′-pyrrolidine]-3′-carboxylate

2014 ◽  
Vol 70 (5) ◽  
pp. o540-o540
Author(s):  
Vinodhkumar Vijayakumar ◽  
Gunther H. Peters ◽  
M. Suresh ◽  
Raghunathan Raghavachary ◽  
G. Jagadeesan
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Ring System ◽  
Indole Ring ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
Twist Conformation ◽  
Naphthyl Ring

In the title compound, C27H28N2O4, the pyrrolidine ring adopts a twist conformation. The plane of the indole ring is almost perpendicular to that of the pyrrolidine ring, making a dihedral angle of 88.50 (6)°. The planes of the naphthyl ring system and the pyrrolidine ring are tilted by an angle of 55.86 (5)°. The molecular conformation is stabilized by intramolecular O—H...O and O—H...N hydrogen bonds.

scholarly journals rac-Methyl (1R,3′S)-1′,1′′-dimethyl-2,2′′-dioxo-2H-dispiro[acenaphthylene-1,2′-pyrrolidine-3′,3′′-indoline]-4′-carboxylate

2013 ◽  
Vol 69 (2) ◽  
pp. o235-o235 ◽  
Author(s):  
G. Ganesh ◽  
Panneer Selvam Yuvaraj ◽  
Chinthalapuri Divakara ◽  
Boreddy S. R. Reddy ◽  
A. SubbiahPandi
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
The Other ◽  
Dihedral Angles ◽  
Indole Ring ◽  
Naphthalene Ring ◽  
Pyrrolidine Ring ◽  
Compound C

In the title compound, C26H22N2O4, the pyrrolidine ring adopts a twisted conformation and the other five-membered rings adopt envelope conformations with the spiro C atoms as the flap atoms. The naphthalene ring system of the dihydroacenaphthylene group forms dihedral angles of 89.2 (9) and 75.5 (6)° with the pyrrolidine and indole rings, respectively. The pyrrolidine ring makes a dihedral angle of 80.1 (9)° with the indole ring. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming chains along theb-axis direction.

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 N-(1H-Indol-3-ylmethylidene)-4-methylpiperazin-1-amine

2013 ◽  
Vol 69 (11) ◽  
pp. o1706-o1706 ◽  
Author(s):  
Channappa N. Kavitha ◽  
Jerry P. Jasinski ◽  
Brian J. Anderson ◽  
H. S. Yathirajan ◽  
Manpreet Kaur
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Indole Ring ◽  
Piperazine Ring ◽  
Compound C

In the title compound, C14H18N4, the piperazine ring is in a slightly distorted chair conformation. The indole ring system is twisted from the piperazine ring, making a dihedral angle of 7.27 (11)°. In the crystal, N—H...N hydrogen bonds link molecules into chains along [10-1].

scholarly journals 2-Bromo-1-(1-phenylsulfonyl-1H-indol-3-yl)propan-1-one

2014 ◽  
Vol 70 (3) ◽  
pp. o295-o296
Author(s):  
C. Ramathilagam ◽  
P. R. Umarani ◽  
V. Saravanan ◽  
A. K. Mohanakrishnan ◽  
B. Gunasekaran ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Indole Ring ◽  
Methyl Group ◽  
Π Interactions ◽  
Compound C ◽  
A Chain

In the title compound, C17H14BrNO3S, the phenyl ring makes a dihedral angle of 89.78 (16)° with the plane of the indole ring system. The terminal Br atom and the methyl group are disordered over two sets of sites, with site occupancies of 0.860 (2) and 0.140 (2). In the crystal, molecules are linked into a chain along theb-axis direction by weak C—H...O hydrogen bonds. The chains are further linked by C—H...π interactions, forming layers parallel to thebcplane.

scholarly journals (5R*)-5-[(2S*,5S*)-1-Methoxy-5-phenylpyrrolidin-2-yl]-3-methylfuran-2(5H)-one

2014 ◽  
Vol 70 (8) ◽  
pp. o839-o839
Author(s):  
Takeshi Oishi ◽  
Makoto Yoritate ◽  
Takaaki Sato ◽  
Noritaka Chida
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Maximum Deviation ◽  
Pyrrolidine Ring ◽  
Π Interactions ◽  
Compound C ◽  
Twist Conformation

In the title compound, C16H19NO3, the pyrrolidine ring is in a twist conformation. The dihedral angle between the dihydrofuran ring [maximum deviation = 0.0016 (11) Å] and the phenyl ring is 47.22 (8)°. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming helical chains along theb-axis direction. The chains are further linked by C—H...π interactions to constitute a three-dimensional architecture.

scholarly journals 6-Amino-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyrazine-5-carboxamide

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
Manpreet Kaur ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Jerry P. Jasinski ◽  
Talaat I. El-Emary ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Molecular Conformation ◽  
Ring System ◽  
Pyrazine Ring ◽  
Π Interactions ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C13H12N6O, the pyrazolo[3,4-b]pyrazine ring system is planar (r.m.s. deviation for the nine fitted atoms = 0.024 Å) and makes a dihedral angle of 5.72 (6)° with the pendent phenyl ring. The molecular conformation is stabilized by intramolecular N—H...O and C—H...N hydrogen bonds, each generating anS(6) loop. In the crystal, pairs of molecules are connected into inversion dimers by strong N—H...O hydrogen bonds, formingR22(8) ring motifs. These are linked into sheets parallel to (100)viaN—H...N hydrogen bonds; π–π interactions between symmetry-related pyrazole and phenyl rings [centroid–centroid distances = 3.4453 (9) Å] within the sheets are also noted.

scholarly journals 1-(2-Bromomethyl-1-phenylsulfonyl-1H-indol-3-yl)propan-1-one

2013 ◽  
Vol 69 (12) ◽  
pp. o1802-o1803 ◽  
Author(s):  
M. Umadevi ◽  
V. Saravanan ◽  
R. Yamuna ◽  
A. K. Mohanakrishnan ◽  
G. Chakkaravarthi
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Indole Ring ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C

In the title compound, C18H16BrNO3S, the dihedral angle between the phenyl ring and the indole ring system is 89.91 (11)°. The molecular structure features weak C—H...O and C—H...Br hydrogen bonds. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming chains along thea-axis direction. The chains are further linked by C—H...π interactions, forming a layer parallel to theabplane.

scholarly journals Crystal structure of 2-amino-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2015 ◽  
Vol 71 (11) ◽  
pp. o807-o808
Author(s):  
K. Chandra Kumar ◽  
V. Umesh ◽  
T. K. Madhura ◽  
B. M. Rajesh ◽  
Chandra
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Chair Conformation ◽  
Ring System ◽  
Membered Ring ◽  
Compound C

In the title compound, C15H15FN2OS, the dihedral angle between the planes of the benzothiophene ring system and the fluorobenzene ring is 3.74 (14)°. The six-membered ring of the benzothiophene moiety adopts a half-chair conformation. The molecular conformation is consolidated by intramolecular N—H...F and N—H...O hydrogen bonds. In the crystal, molecules are linked by N—H...O hydrogen bonds, generatingC(6) [001] chains.

scholarly journals Darifenacin hydrobromide

2009 ◽  
Vol 65 (6) ◽  
pp. o1286-o1286
Author(s):  
S. Selvanayagam ◽  
B. Sridhar ◽  
K. Ravikumar
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Ring System ◽  
Unit Cell ◽  
Dihedral Angles ◽  
Pyrrolidine Ring ◽  
Phenyl Rings

In the title compound {systematic name: (S)-3-[(aminocarbonyl)diphenylmethyl]-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]pyrrolidinium bromide}, C28H31N2O2+·Br−, the pyrrolidine rings adopts an envelope conformation. The two phenyl rings make a dihedral angle of 72.5 (1)°. The four coplanar atoms of the pyrrolidine ring makes dihedral angles of 33.1 (2) and 82.8 (2)° with the two phenyl rings. The molecular conformation is influenced by a C—H...O interaction. In the crystal packing, there are two N—H...Br hydrogen bonds running in opposite directions. They appear to formC(10) andC(9) chain motifs in the unit cell. In addition, the molecular packing is further stabilized by C—H...Br and C—H...O hydrogen bonds. The C atom bonded to the benzofuran ring system is disordered in a 0.66:0.34 ratio.

scholarly journals 1-[(4-Methoxyphenyl)sulfonyl]-1H-indole-3-carbaldehyde

IUCrData ◽  
2016 ◽  
Vol 1 (1) ◽  
Author(s):  
E. A. Jithesh Babu ◽  
K. S. Vinay Kumar ◽  
Chandra ◽  
M. P. Sadashiva ◽  
M. Mahendra
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Indole Ring ◽  
Sulfonyl Group ◽  
Compound C ◽  
The Mean

In the molecule of the title compound, C16H13NO4S, the mean plane of the indole ring system and that of the methoxyphenyl ring, which are bridged by a sulfonyl group, are inclined at a dihedral angle of 88.98 (9)°. The crystal structure is stabilized by intermolecular C—H...O hydrogen bonds.

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