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 4-(2-azidophenyl)-5-benzoyl-2-(1H-indol-3-yl)-1H-pyrrole-3-carbonitrile

2015 ◽  
Vol 71 (5) ◽  
pp. o335-o336 ◽  
Author(s):  
G. Vimala ◽  
J. Kamal Raja ◽  
Y. Amina Naaz ◽  
P. T. Preumal ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Pyrrole Ring ◽  
Ring System ◽  
Dihedral Angles ◽  
Indole Ring ◽  
Azide Group ◽  
Compound C

In the title compound, C26H16N6O, the dihedral angles between the central pyrrole ring and the pendant indole ring system (r.m.s. deviation = 0.027 Å) and the azide-bearing benzene ring are 37.56 (8) and 51.62 (11)°, respectively. The azide group is almost coplanar with its attached benzene ring [C—C—N—N = 3.8 (3)°]. The benzoyl benzene ring is disordered over two orientations twisted with respect to each other by 9.29 (8)° in a 0.514 (2):0.486 (2) ratio. In the crystal, inversion dimers linked by pairs of Np—H...O (p = pyrrole) hydrogen bonds generateR22(10) loops. A second inversion dimer arises from a pair of Ni—H...Nc(i = indole and c = cyanide) hydrogen bonds, which generates anR22(16) loop. Together, the hydrogen bonds lead to [011] chains in the crystal.

scholarly journals 5-Benzoyl-2-(5-bromo-1H-indol-3-yl)-4-(4-nitrophenyl)-1H-pyrrole-3-carbonitrile dimethyl sulfoxide monosolvate

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Y. AaminaNaaz ◽  
Jayabal Kamalraja ◽  
Paramasivam T. Perumal ◽  
A. SubbiahPandi
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Pyrrole Ring ◽  
Ring System ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Indole Ring ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Ring Motif

The title compound, C26H15BrN4O3·C2H6OS, contains five rings. The indole unit is essentially planar [maximum deviation = 0.0067 (1) Å for the N atom]. The central pyrrole ring makes dihedral angles of 44.1 (2) and 51.3 (2)° with the pendant indole ring system and the nitrobenzene ring, respectively. The benzene ring is inclined with the central pyrrole ring by 51.9 (3)°. In the crystal, N—H...O hydrogen-bonding interactions between aromatic-H-atom donors and sulfoxide-O-atom acceptors result in the formation of inversion dimers with anR42(16) ring motif. The molecules are further linked into chains running along thecaxis by N—H...O, C—H...O and C—H...N hydrogen bonds.

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 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 {2-[(1H-Indol-3-ylmethylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl}(phenyl)methanone

2014 ◽  
Vol 70 (4) ◽  
pp. o501-o502 ◽  
Author(s):  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
Thammarse S. Yamuna ◽  
H. S. Yathirajan ◽  
K. Byrappa
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Infinite Chain ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Indole Ring ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

The title compound, C24H20N2OS, crystallizes with two independent molecules (AandB) in the asymmetric unit, in each of which the cyclohexene rings adopt half-chair conformations. The mean plane of the indole ring is twisted from those of the phenyl and thiophene rings by 69.0 (7) and 8.3 (5)°, respectively, in moleculeAand by 65.4 (9) and 6.7 (5)°, respectively, in moleculeB. The dihedral angles between the mean planes of the phenyl and thiophene rings are 63.0 (4) and 58.8 (9)° in moleculesAandB, respectively. In the crystal, N—H...O hydrogen bonds lead to the formation of an infinite chain along [101]. In addition, π–π stacking interactions are observed involving the thiophene and pyrrole rings of the two molecules, with a shortest intercentroid distance of 3.468 (2) Å.

scholarly journals Crystal structure of 2-{5-[2-(2-hydroxyphenyl)diazen-1-yl]-1-methylpyrrol-2-yl}phenol methanol monosolvate

2018 ◽  
Vol 74 (6) ◽  
pp. 871-873
Author(s):  
Guiwen Yang ◽  
Huixiao Feng ◽  
Zhenming Yin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Pyrrole Ring ◽  
Ring Structure ◽  
Dihedral Angles ◽  
Compound C ◽  
Azo Group ◽  
Phenyl Rings ◽  
Solvent Molecules

In the title azopyrrole compound, C17H15N3O2·CH3OH, the azo N=N bond adopts a trans configuration and the pyrrole N and azo group are in an anti orientation. The dihedral angles between the pyrrole ring and the two phenyl rings are 6.7 (3) and 54.7 (3)°. In the crystal, a supramolecular ring structure is formed between two azopyrrole and two methanol solvent molecules through four O—H...O hydrogen bonds.

scholarly journals Ethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate

2013 ◽  
Vol 69 (12) ◽  
pp. o1761-o1762 ◽  
Author(s):  
Mehmet Akkurt ◽  
Shaaban K. Mohamed ◽  
Mahmoud A.A. Elremaily ◽  
Francisco Santoyo-Gonzalez ◽  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyrrole Ring ◽  
Dihedral Angles ◽  
Compound C ◽  
Phenyl Rings ◽  
Ring Motif

In the title compound, C20H18Cl2N2O3, the dihedral angles between the central 2,5-dihydro-1H-pyrrole ring and the phenyl rings are 74.87 (9) and 29.09 (9)°. Intramolecular N—H...O and C—H...O hydrogen bonds occur. In the crystal, pairs of N—H...O hydrogen bonds link adjacent molecules into inversion dimers and form anR12(6)R22(10)R12(6) ring motif through C—H...O hydrogen bonds.

scholarly journals 2,3,5-Triphenyl-2H-tetrazol-3-ium bromide ethanol monosolvate

2012 ◽  
Vol 68 (8) ◽  
pp. o2566-o2566
Author(s):  
Hoong-Kun Fun ◽  
Tze Shyang Chia ◽  
Gamal A. E. Mostafa ◽  
Mohamed M. Hefnawy ◽  
Hatem A. Abdel-Aziz
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Solvent Molecule ◽  
Infinite Chain ◽  
Tetrazole Ring ◽  
Dihedral Angles ◽  
Component Ratio ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C19H15N4+·Br−·C2H5OH, the tetrazole ring makes dihedral angles of 57.44 (9), 50.92 (9) and 4.65 (8)° with the attached phenyl rings. In the crystal, the cation and the anion are linked to each other by intermolecular C—H...Br hydrogen bonds into an infinite chain along thebaxis. The anion and the ethanol solvent molecule are linked by an O—H...Br hydrogen bond. The crystal studied was an inversion twin with a refined component ratio of 0.632 (5):0.368 (5).

scholarly journals N′-[(E)-1-(2-Fluorophenyl)ethylidene]pyridine-4-carbohydrazide

2014 ◽  
Vol 70 (5) ◽  
pp. o532-o533 ◽  
Author(s):  
P. B. Sreeja ◽  
M. Sithambaresan ◽  
N. Aiswarya ◽  
M. R. Prathapachandra Kurup
Keyword(s):  
Hydrogen Bonds ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Three Dimensional ◽  
Supramolecular Assembly ◽  
Dihedral Angles ◽  
Compound C ◽  
Planar Molecule ◽  
Centroid Distance ◽  
Azomethine Bond

The title compound, C14H12FN3O, adopts anEconformation with respect to the azomethine bond. The pyridyl and fluorobenzene rings make dihedral angles of 38.58 (6) and 41.61 (5)° respectively with the central C(=O)N2CC unit, resulting in a non-planar molecule. The intermolecular interactions comprise two classical N—H...O and N—H...N hydrogen bonds and four non-classical C—H...O and C—H...F hydrogen bonds. These interactions are augmented by a weak π–π interaction between the benzene and pyridyl rings of neighbouring molecules, with a centroid–centroid distance of 3.9226 (10) Å. This leads to a three-dimensional supramolecular assembly in the crystal system. The F atom is disordered over two sites in a 0.559 (3): 0.441 (3) ratio, through a 180° rotation of the fluorobenzene ring.

scholarly journals Crystal structure of (2-bromomethyl-1-phenylsulfonyl-1H-indol-3-yl)(phenyl)methanone

2015 ◽  
Vol 71 (2) ◽  
pp. o86-o87 ◽  
Author(s):  
M. Umadevi ◽  
V. Saravanan ◽  
R. Yamuna ◽  
A. K. Mohanakrishnan ◽  
G. Chakkaravarthi
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Indole Ring ◽  
Tetrahedral Configuration ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C22H16BrNO3S, the phenyl rings make dihedral angles of 84.81 (16) and 61.67 (17)° with the indole ring system (r.m.s. deviation = 0.012 Å), while the phenyl rings are inclined to one another by 69.5 (2)°. The molecular structure is stabilized by weak intramolecular C—H...O hydrogen bonds. The sulfonyl S atom has a distorted tetrahedral configuration. In the crystal, there are no significant intermolecular interactions present.

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