scholarly journals (3aR,8bR)-3a,8b-Dihydroxy-1-(4-methoxyphenyl)-2-methylsulfanyl-3-nitro-1,8b-dihydroindeno[1,2-b]pyrrol-4(3aH)-one

2013 ◽  
Vol 69 (12) ◽  
pp. o1849-o1850 ◽  
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
V. Jeyachandran ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
Cyclopentane Ring ◽  
Graph Set ◽  
Puckering Parameters

In the title compound, C19H16N2O6S, the pyrrolidine ring adopts a twisted conformation with puckering parametersq2= 0.088 (3) Å and Φ2= 61.5 (14)°. The cyclopentane ring adopts a twisted conformation with puckering parametersq2= 0.099 (2) Å and Φ2= 242.8 (14)°. A weak intramolecular O—H...O interaction occurs. In the crystal, pairs of C—H...O interactions generate dimers with graph-set motifR22(24) and they are interconnected by pairs of O—H...O hydrogen bonds, which link the molecules into inversion dimers with graph-set motifR22(10).

scholarly journals (3aR,8bR)-3a,8b-Dihydroxy-2-methylsulfanyl-3-nitro-1-phenyl-1,8b-dihydroindeno[1,2-b]pyrrol-4(3aH)-one

2013 ◽  
Vol 69 (12) ◽  
pp. o1770-o1771
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
V. Jeyachandran ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Pyrrolidine Ring ◽  
Oh Groups ◽  
Compound C ◽  
Ring Junction ◽  
Cyclopentane Ring

In the title compound, C18H14N2O5, the pyrrolidine ring adopts a shallow envelope conformation, with the C atom bearing the OH group (and remote from the N atom) displaced by 0.257 (2) Å from the other atoms. The cyclopentane ring has a twisted conformation about the C—C bond bearing one =O and one —OH grouping. The dihedral angle between the five-membered rings (all atoms) is 65.54 (9)° and the OH groups lie to the same side of the ring-junction. The molecular structure features a weak intramolecular O—H...O bond and a possible C—H...π interaction. In the crystal, the molecules are linked into [010] chains by O—H...O hydrogen bonds. Weak C—H...O bonds connect the chains into (100) sheets.

scholarly journals Crystal structure of 2-benzylamino-4-p-tolyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2015 ◽  
Vol 71 (2) ◽  
pp. 192-194
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
S. Maharani ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Cyclopentane Ring ◽  
Ring Motif

The title compound, C23H21N3, comprises a 2-amino-3-cyanopyridine ring fused with a cyclopentane ring. The later adopts an envelope conformation with the central methylene C atom as the flap. The benzyl and andp-tolyl rings are inclined to one another by 56.18 (15)°, and to the pyridine ring by 81.87 (14) and 47.60 (11)°, respectively. In the crystal, molecules are linked by pairs of N—H...Nnitrilehydrogen bonds, forming inversion dimers with anR22(12) ring motif. The dimers are linked by C—H...π and π–π interactions [centroid–centroid distance = 3.7211 (12) Å], forming a three-dimensional framework.

scholarly journals Crystal structure of (±)-(4RS,5RS,7SR)-4-[(1RS,2RS,3RS,6RS)-3-benzoyloxy-2-(2-hydroxyethyl)-6-methoxymethoxy-2-methylcyclohexyl]-8,10,10-trimethyl-2-oxo-1,3-dioxaspiro[4.5]dec-8-en-7-yl benzoate benzene monosolvate

2015 ◽  
Vol 71 (1) ◽  
pp. 8-11 ◽  
Author(s):  
Takeshi Oishi ◽  
Yuu Yamaguchi ◽  
Keisuke Fukaya ◽  
Tomoya Sugai ◽  
Ami Watanabe ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Benzene Molecule ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C ◽  
Graph Set

In the title compound, C36H44O10·C6H6, the dioxolane ring adopts an envelope conformation with the C atom bonded to the H atom as the flap, while the cyclohexene and cyclohexane rings are in half-chair and chair conformations, respectively. In the crystal, a pair of O—H...O hydrogen bonds with anR22(26) graph-set motif connect the benzoate molecules into an inversion dimer. The dimers are linked by a weak C—H...O interaction into a tape structure along [01-1]. The benzene molecule links the tapes through C—H...O and C—H...π interactions, forming a sheet parallel to (100).

scholarly journals Diethyl [(4-nitrobenzamido)(phenyl)methyl]phosphonate

2014 ◽  
Vol 70 (5) ◽  
pp. o548-o548
Author(s):  
Jing-Wei Chen ◽  
Bai-Cun Li ◽  
Hua Fang ◽  
Zhen Wu ◽  
Mei-Juan Fang
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Compound C ◽  
Phenyl Rings ◽  
Graph Set

In the title compound, C18H21N2O6P, the dihedral angle between the benzene and phenyl rings is 85.1 (2)°. In the crystal, molecules are linkedviapairs of N—H...O(=P) hydrogen bonds, forming inversion dimers with graph-set notationR22(10). One of the ethyl groups is disordered over two sets of sites, with occupancies 0.746 (11) and 0.254 (11).

scholarly journals (3R,5S,7R,8R,9S,10S,12S,13R,14S)-10,13-Dimethyl-17-[5-oxo-5-(prop-2-yn-1-yloxy)pentan-2-yl]hexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triyl triacetate

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
T. Kavitha ◽  
Devaraj Anandkumar ◽  
Perumal Rajakumar ◽  
Srinivasan Bargavi ◽  
Srinivasakannan Lakshmi
Keyword(s):  
Hydrogen Bonds ◽  
Cholic Acid ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Terminal Alkyne ◽  
Compound C ◽  
Cyclopentane Ring ◽  
The Mean

In the title compound, C33H48O8, four terminal H atoms of cholic acid are replaced by three acetyl and one terminal alkyne group. All the acetyl residues are twisted with respect to the rings (A, B and C) to which they are attached. The cyclopentane ring D adopts an envelope conformation with the methyl-substituted C atom as the flap. Rings A, B and C have chair conformations. The dihedral angle between the mean planes of rings C and D is 4.70 (11)°. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming a three-dimensional structure.

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 5′′-(4-Methoxybenzylidene)-1′-(4-methoxyphenyl)-1′′-methyl-1′,2′,3′,5′,6′,7′,8′,8a′-octahydrodispiro[acenaphthylene-1,3′-indolizine-2′,3′′-piperidine]-2,4′′(1H)-dione

2013 ◽  
Vol 69 (2) ◽  
pp. o256-o257 ◽  
Author(s):  
J. Suresh ◽  
R. A. Nagalakshmi ◽  
S. Sivakumar ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Title Compound ◽  
Chair Conformation ◽  
The Other ◽  
Piperidine Ring ◽  
Pyrrolidine Ring ◽  
Π Interactions ◽  
Compound C ◽  
The Mean ◽  
Puckering Parameters ◽  
Centrosymmetric Dimers

In the title compound, C39H38N2O4, the pyridinone ring adopts a twisted half-chair conformation with the N atom deviating by 0.3304 (1) and with the methylene C atom adjacent to the octahydroindolizine unit deviating by 0.444 (3) Å from the mean plane defined by the other four atoms. In the octahydroindolizine system, the pyrrolidine ring exhibits an envelope conformation, with the fused methyne C atom deviating by 0.6315 (1) Å from the mean plane defined by the other four atoms, and the piperidine ring exhibits a distorted chair conformation, as reflected in the puckering parametersQ= 0.568 (4) Å, θ = 1.5 (4) and ϕ = 161 (16)°. In the crystal pairs of weak C—H...O interactions form centrosymmetric dimers, which are further connected by C—H...π interactions. The crystal studied was a non-merohedral twin, with a domain ratio of 0.91:0.09.

scholarly journals 4-[(E)-(4-Hydroxybenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione

2014 ◽  
Vol 70 (6) ◽  
pp. o733-o734 ◽  
Author(s):  
Balladka K. Sarojini ◽  
Padmanabha S. Manjula ◽  
B. Narayana ◽  
Jerry P. Jasinski
Keyword(s):  
Hydrogen Bonds ◽  
Intermolecular Interactions ◽  
Hydroxy Group ◽  
Title Compound ◽  
Triazole Ring ◽  
Compound C ◽  
Centroid Distance ◽  
Group Form ◽  
The Mean ◽  
Graph Set

The title compound, C10H10N4OS, is nearly planar with the mean planes of the hydroxybenzyl and triazole rings inclined at an angle of only 3.2 (7)°. In the crystal, O—H...N hydrogen bonds between the hydroxy group and the triazole ring in concert with weak N—H...S intermolecular interactions between the triazole ring and thione group form chains along [-210] enclosingR22(8) graph-set motifs. A weak intramolecular C—H...S interaction and intermolecular π–π interactions [centroid–centroid distance = 3.5990 (15) Å] are also observed.

scholarly journals 2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile propan-2-one monosolvate

2012 ◽  
Vol 68 (6) ◽  
pp. o1965-o1966 ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Muhammad N. Tahir ◽  
Antar A. Abdelhamid ◽  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Layer Structure ◽  
Maximum Deviation ◽  
Pyran Ring ◽  
Compound C ◽  
Cyclohexene Ring ◽  
The Mean ◽  
Graph Set ◽  
Puckering Parameters

In the title compound, C18H17ClN2O2·C3H6O, the 4H-pyran ring is nearly planar [maximum deviation = −0.108 (1) Å] and the cyclohexene ring is puckered [puckering parameters Q T = 0.4596 (17) Å, θ = 55.9 (2)° and φ = 226.5 (3)°]. The 4H-pyran ring is approximately perpendicular to the benzene ring [dihedral angle = 84.35 (7)°] and is almost coplanar with the mean plane of the cyclohexene ring [dihedral angle = 8.64 (7)°]. In the crystal, inversion-related main molecules are linked into dimers by pairs of N—H...N hydrogen bonds, generating an R 2 2(12) graph-set motif. These dimers are further connected by N—H...O and C—H...N hydrogen bonds, forming a layer structure extending parallel to the (011) plane. In addition, the molecules within the layers interact with each other via C—H...π interactions.

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.

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