cis-4,4,10-Trimethyl-2-tosyl-1,2,3,3a,4,11b-hexahydro-11H-pyrrolo[3,4-c]pyrano[5,6-c]quinolin-11-one hemihydrate

2007 ◽  
Vol 63 (11) ◽  
pp. o4489-o4490 ◽  
Author(s):  
K. Chinnakali ◽  
D. Sudha ◽  
M. Jayagopi ◽  
R. Raghunathan ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Asymmetric Unit ◽  
Pyrrolidine Ring ◽  
Π Interactions ◽  
Compound C ◽  
Twist Conformation ◽  
Independent Molecules ◽  
A Chain

The asymmetric unit of the title compound, C24H26N2O4S·0.5H2O, contains two independent molecules, A and B, with similar conformations, and a water molecule. The pyrrolidine ring adopts an envelope conformation in molecule A and a twist conformation in molecule B. In both molecules, the pyrrolidine and dihydropyran rings are cis-fused, and the dihydropyran ring has a half-chair conformation. Each of the independent molecules adopts a folded conformation, with the sulfonyl-bound benzene ring lying over the pyridinone ring. The two independent molecules, A and B, are linked together via C—H...O hydrogen bonds and C—H...π interactions. The A–B pairs are linked into a chain along the a axis by O—H...O and C—H...O hydrogen bonds, as well as C—H...π interactions. The inversion- and screw-related molecules in adjacent chains are cross-linked via C—H...O and C—H...N interactions, forming a three-dimensional framework.

scholarly journals 1-Methyl-3-(2-methylphenyl)-3a-nitro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole

2012 ◽  
Vol 68 (6) ◽  
pp. o1735-o1735
Author(s):  
S. Sundaramoorthy ◽  
N. Sivakumar ◽  
M. Bakthadoss ◽  
D. Velmurugan
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
The Other ◽  
Asymmetric Unit ◽  
Pyran Ring ◽  
Pyrrolidine Ring ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C19H20N2O3, contains two independent molecules in both of which the pyrrolidine ring adopts an envelope conformation, but with a C atom as the flap in one molecule and the N atom in the other. The pyran ring adopts a half-chair conformation in both molecules. In the crystal, molecules are linked via C—H...O hydrogen bonds and C—H...π interactions.

4,4,7,7-Tetramethyl-2-tosyl-2,3,3a,4,6,7,8,9-octahydro-1H-pyrrolo[3,4-c]pyrano[6,5-b]cyclohexan-9-one

2007 ◽  
Vol 63 (11) ◽  
pp. o4436-o4437 ◽  
Author(s):  
K. Chinnakali ◽  
D. Sudha ◽  
M. Jayagopi ◽  
R. Raghunathan ◽  
Hoong-Kun Fun
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Ring System ◽  
Asymmetric Unit ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
Twist Conformation ◽  
Tosyl Group ◽  
Independent Molecules

The title compound, C22H29NO4S, crystallizes with three independent molecules, A, B and C, in the asymmetric unit. Each of the three independent molecules adopts a folded conformation, with the phenylsulfonyl group lying over the pyranocyclohexanone ring system, and with the pyrrolidine and dihydropyran rings cis-fused. In all three molecules, the pyrrolidine ring has a twist conformation and the dihydropyran ring is in a half-chair conformation. The cyclohexenone rings adopt envelope conformations, with the flap atom puckered towards the phenylsulfonyl group in molecule A, and away from that group in molecules B and C, resulting in a different overall conformation for molecule A compared to B and C. In all molecules, the tosyl group is equatorially attached to the pyrrolidine ring. In the crystal structure, the molecules are linked into a three-dimensional framework by C—H...O hydrogen bonds.

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 Crystal structure ofN-(quinolin-6-yl)hydroxylamine

2014 ◽  
Vol 70 (11) ◽  
pp. 322-324 ◽  
Author(s):  
Anuruddha Rajapakse ◽  
Roman Hillebrand ◽  
Sarah M. Lewis ◽  
Zachary D. Parsons ◽  
Charles L. Barnes ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
A Minor

The title compound, C9H8N2O, crystallized with four independent molecules in the asymmetric unit. The four molecules are linkedviaone O—H...N and two N—H...N hydrogen bonds, forming a tetramer-like unit. In the crystal, molecules are further linked by O—H...N and N—H...O hydrogen bonds forming layers parallel to (001). These layers are linkedviaC—H...O hydrogen bonds and a number of weak C—H...π interactions, forming a three-dimensional structure. The crystal was refined as a non-merohedral twin with a minor twin component of 0.319.

scholarly journals Crystal structure of 7′-(4-chlorophenyl)-2′′-(4-methoxyphenyl)-7′,7a',7′′,8′′-tetrahydro-1′H,3′H,5′′H-dispiro[indoline-3,5′-pyrrolo[1,2-c]thiazole-6′,6′′-quinoline]-2,5′′-dione and an unknown solvent

2019 ◽  
Vol 75 (2) ◽  
pp. 189-193
Author(s):  
R. Vishnupriya ◽  
M. Venkateshan ◽  
J. Suresh ◽  
R. V. Sumesh ◽  
R. Ranjith Kumar ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Chair Conformation ◽  
Ring System ◽  
Supramolecular Framework ◽  
Asymmetric Unit ◽  
Acta Cryst ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
Solvent Molecules

The asymmetric unit of the title compound, C34H28ClN3O3S, contains two independent molecules (A and B). They differ essentially in the orientation of the 4-methoxyphenyl ring with respect to the pyridine ring of the quinoline moiety; this dihedral angle is 37.01 (18)° in molecule A but only 7.06 (17)° in molecule B. In both molecules, the cyclohexanone ring of the isoquinoline unit has a half-chair conformation. In the pyrrolothiazole ring system, the pyrrolo ring in molecule A has a twisted conformation on the N—C fused bond and an envelope conformation in molecule B with the N atom as the flap. The thiazole rings of both molecules have twisted conformations on the N—C fused bond. In the crystal, the A molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with an R 2 2(8) ring motif. These dimers are linked to the B molecules by an N—H...N hydrogen bond and a series of C—H...O hydrogen bonds, forming layers lying parallel to the (101) plane. The layers are linked by C—H...π interactions and offset π–π interactions [intercentroid distance = 3.427 (1) Å], forming a supramolecular framework. The contribution to the scattering from a region of highly disordered solvent molecules was removed with the SQUEEZE routine in PLATON [Spek (2015). Acta Cryst. C71, 9–18]. The solvent formula mass and unit-cell characteristics were not taken into account during refinement.

scholarly journals Crystal structure of 2-methyl-4-[(thiophen-2-yl)methylidene]-1,3-oxazol-5(4H)-one

2015 ◽  
Vol 71 (2) ◽  
pp. o123-o124 ◽  
Author(s):  
Preetika Sharma ◽  
K. N. Subbulakshmi ◽  
B. Narayana ◽  
K. Byrappa ◽  
Rajni Kant
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
The Individual

The asymmetric unit of the title compound, C9H7NO2S, contains two crystallographically independent molecules (AandB). Both molecules are almost planar [maximum deviations = 0.047 (1) and 0.090 (1) Å, respectively, for the S atoms] with the oxazole and thiophene rings being inclined to one another by 2.65 (16)° in moleculeAand by 4.55 (15)° in moleculeB. In the crystal, the individual molecules are linkedviaC—H...O hydrogen bonds, forming –A–B–A–B– chains along the [10-1] direction. The chains are linkedviaC—H...π and π–π interactions [intercentroid distances = 3.767 (2) and 3.867 (2) Å] involving inversion-related oxazole and thiophene rings in both molecules, forming a three-dimensional structure.

scholarly journals 1-(Furan-2-yl)-2-(2H-indazol-2-yl)ethanone

2014 ◽  
Vol 70 (4) ◽  
pp. o505-o505 ◽  
Author(s):  
Özden Özel Güven ◽  
Gökhan Türk ◽  
Philip D. F. Adler ◽  
Simon J. Coles ◽  
Tuncer Hökelek
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Independent Molecules

The asymmetric unit of the title compound, C13H10N2O2, contains two crystallographically independent molecules (AandB). The indazole ring systems are approximately planar [maximum deviations = 0.0037 (15) and −0.0198 (15) Å], and their mean planes are oriented at 80.10 (5) and 65.97 (4)° with respect to the furan rings in moleculesAandB, respectively. In the crystal, pairs of C—H...N hydrogen bonds link theBmolecules, forming inversion dimers. These dimers are bridged by theAmoleculesviaC—H...O hydrogen bonds, forming sheets parallel to (011). There are also C—H...π interactions present, and π–π interactions between neighbouring furan and the indazole rings [centroid–centroid distance = 3.8708 (9) Å] of inversion-related molecules, forming a three-dimensional structure.

scholarly journals Crystal structure of ethyl 1′,5-dimethyl-2′′,3-dioxo-3H-dispiro[benzo[b]thiophene-2,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxylate

2015 ◽  
Vol 71 (3) ◽  
pp. o152-o153
Author(s):  
R. Raja ◽  
J. Govindaraj ◽  
M. Suresh ◽  
R. Raghunathan ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

The title compound, C23H22N2O4S, crystallized with two independent molecules (AandB) in the asymmetric unit. They have very similar conformations with the pyrrolidine ring having a twisted conformation, on the Cspiro—Cspirobond, in both molecules. In moleculeA, the mean planes of the benzothiophene and indoline ring systems are inclined to the mean plane of the pyrrolidine ring by 87.59 (10) and 84.51 (11)°, respectively, and to one another by 72.69 (7)°. The corresponding angles in moleculeBare 87.15 (10), 84.58 (10) and 72.07 (7)°, respectively. In the crystal, theAandBmolecules are linked to one another by two N—H...O hydrogen bonds, forming a dimer. These dimers are linkedviaC—H...O hydrogen bonds, forming a three-dimensional structure.

scholarly journals t-3-Benzyl-r-2,c-6-diphenylpiperidin-4-one

IUCrData ◽  
2016 ◽  
Vol 1 (2) ◽  
Author(s):  
R. Arulraj ◽  
S. Sivakumar ◽  
A. Thiruvalluvar ◽  
A. Manimekalai
Keyword(s):  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Dimensional Structure ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Phenyl Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C24H23NO, contains two crystallographically independent molecules (AandB). In both molecules, the piperidine rings adopt a chair conformation and the phenyl rings and the benzyl group substituents are attached equatorially. The dihedral angle between the phenyl rings is 60.80 (10)° in moleculeAand 68.43 (9)° in moleculeB. The phenyl ring of the benzyl group makes dihedral angles of 76.95 (9) and 42.25 (10)° with the phenyl rings in moleculeA, and dihedral angles of 81.38 (11) and 30.19 (11)° in moleculeB. In the crystal, the two molecules are linked by N—H...O hydrogen bonds, forming –A–B–A–B– chains along [100]. In addition, five C—H...π interactions are also present, linking the chains to form a three-dimensional structure.

scholarly journals (E)-N-(1H-Pyrrol-2-ylmethylidene)-2-{[(E)-(1H-pyrrol-2-ylmethylidene)amino]methyl}aniline

IUCrData ◽  
2017 ◽  
Vol 2 (4) ◽  
Author(s):  
B. Raghuvarman ◽  
Jayagopi Gayathri ◽  
Kumar Sangeetha Selvan ◽  
P. Sugumar ◽  
M. N. Ponnuswamy
Keyword(s):  
Hydrogen Bonds ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Π Interactions ◽  
Type Compound ◽  
Extended Conformation ◽  
Compound C ◽  
Independent Molecules

The title salophene-type compound, C17H16N4, crystallizes with two independent molecules (AandB) in the asymmetric unit. Both (pyrrol-2-yl)methanimine groups have an extended conformation, and anEconformation about the C=N bonds. The pyrrole rings are inclined to the aminobenzylamine ring by 43.7 (3) and 78.9 (2)° in moleculeA, and by 46.8 (3) and 79.3 (3)° in moleculeB, while the pyrrole rings are inclined to one another by 58.9 (3) and 59.9 (3)° in moleculesAandB, respectively. In the crystal, molecules are linked by N—H...N hydrogen bonds, forming chains propagating along thea-axis direction. The chains are linked by C—H...π interactions, forming a three-dimensional supramolecular structure.

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