scholarly journals Flunarizinium isonicotinate

2014 ◽  
Vol 70 (6) ◽  
pp. o681-o682
Author(s):  
Channappa N. Kavitha ◽  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
H. S. Yathirajan
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Piperazine Ring ◽  
Centroid Distance ◽  
Benzene Rings ◽  
The Mean

In the cation of the title salt {systematic name: 4-[bis(4-fluorophenyl)methyl]-1-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-ium pyridine-4-carboxylate}, C26H27F2N2+·C6H4NO2−, the piperazine ring is in a slightly distorted chair conformation. The dihedral angle between the mean planes of the fluoro-substituted benzene rings is 81.9 (1)° and these benzene rings form dihedral angles of 6.5 (1) and 87.8 (1)° with the phenyl ring. In the crystal, a single N—H...O hydrogen bond links the cation and the anion. In addition, weak C—H...O hydrogen bonds and π–π stacking interactions involving one of the fluoro-substituted benzene rings and the phenyl ring, with a centroid–centroid distance of 3.700 (7) Å, link molecules along [100].

scholarly journals (4Z)-2-Phenyl-1-{(E)-[4-(propan-2-yl)benzylidene]amino}-4-[(thiophen-2-yl)methylidene]-1H-imidazol-5(4H)-one

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Kamni ◽  
Vikram D. Singh ◽  
K. N. Subbulakshmi ◽  
B. Narayana ◽  
B. K. Sarojini ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Imidazole Ring ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Graph Set ◽  
Title Molecule

In the title molecule, C24H21N3OS, the imidazole ring subtends dihedral angles of 4.6 (1) and 20.2 (1)° with the thiophene and iso-propylbenzene rings, respectively. The plane of the imidazole ring forms a dihedral angle of 39.9 (1)° with the phenyl ring. An intramolecular C—H...N hydrogen bond closes anS(6) ring. In the crystal, pairs of C—H...O hydrogen bonds link molecules into inversion dimers featuringR22(10) graph-set motifs. Aromatic π–π stacking interactions are observed between the thiophene and imidazole rings [centroid–centroid distance = 3.570 (2) Å] and thiophene and benzene rings [centroid–centroid distance = 3.889 (2) Å]. Weak C—H...π interactions are also observed.

scholarly journals 4-[Bis(4-fluorophenyl)methyl]-1-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-ium 3-carboxypropanoate

2013 ◽  
Vol 69 (2) ◽  
pp. o260-o261 ◽  
Author(s):  
Channappa N. Kavitha ◽  
Hemmige S. Yathirajan ◽  
Badiadka Narayana ◽  
Thomas Gerber ◽  
Benjamin van Brecht ◽  
...  
Keyword(s):  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Piperazine Ring ◽  
Carboxylate Groups ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Benzene Rings

In the title salt, C26H27F2N2+·C4H5O4−, the piperazine N atom bearing the vinylic substituent is protonated. The piperazine ring adopts a chair conformation. In ther crystal, the succinate monoanions are connectedviashort O—H...O hydrogen bonds between the carboxylic acid and carboxylate groups into undulating chains extending along [001] and the flunarizinium monocations are attached to these chainsviaN+—H...O−hydrogen bonds. C—H...O interactions connect these chains into a three-dimensional network. The shortest centroid–centroid distance of 3.7256 (10) Å was found between one of the fluorinated benzene rings and the non-fluorinated phenyl ring in the neighbouring molecule related by a glide plane.

scholarly journals N-[4-(4-Bromophenyl)thiazol-2-yl]-4-(piperidin-1-yl)butanamide

2012 ◽  
Vol 68 (6) ◽  
pp. o1665-o1665 ◽  
Author(s):  
Hazem A. Ghabbour ◽  
Adnan A. Kadi ◽  
Hussein I. El-Subbagh ◽  
Tze Shyang Chia ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Thiazole Ring ◽  
Dihedral Angles ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean ◽  
Ring Motif

In the title compound, C18H22BrN3OS, the piperidine ring adopts a chair conformation. The mean plane of the thiazole ring forms dihedral angles of 23.97 (10) and 75.82 (10)° with the mean planes of its adjacent benzene and piperidine rings, respectively. An intramolecular N—H...N hydrogen bond generates an S(7) ring motif in the molecule. In the crystal, no significant intermoelcular hydrogen bonds are observed, but a weak π–π interaction with a centroid–centroid distance of 3.8855 (13) Å occurs.

scholarly journals Enrofloxacinium oxalate

2014 ◽  
Vol 70 (2) ◽  
pp. o200-o201 ◽  
Author(s):  
Thammarse S. Yamuna ◽  
Manpreet Kaur ◽  
Brian J. Anderson ◽  
Jerry P. Jasinski ◽  
H. S. Yathirajan
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Quinoline Ring ◽  
Asymmetric Unit ◽  
The Mean ◽  
Graph Set ◽  
Intramolecular Hydrogen

The title salt, 2C19H23FN3O3+·C2O42−{systematic name: bis-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)-1-ethylpiperazin-1-ium] oxalate}, crystallizes with two independent monocations (AandB) and an oxalate dianion (C) in the asymmetric unit. The piperazinium ring in both the cations adopts a slightly disordered chair conformation. The dihedral angles between the mean planes of the cyclopropyl ring and the 10-membered quinoline ring are 50.6 (5)° (A) and 62.2 (5)° (B). In each of the cations, a single O—H...O intramolecular hydrogen bond is observed. In the crystal, the oxalate anions interact with the cations through N—H...O hydrogen bonds and weak C—H...O interactions, formingR22(8) graph-set ring motifs. Weak C—H...F interactions along with further C—H...O interactions are observed between the cations, forming zigzag chains along [001]. In addition, π–π stacking interactions are observed with centroid–centroid distances of 3.5089 (13), 3.5583 (13), 3.7900 (13) and 3.7991 (13) Å.

scholarly journals 4-Acetylpiperazinium picrate

2014 ◽  
Vol 70 (6) ◽  
pp. o717-o718 ◽  
Author(s):  
Channappa N. Kavitha ◽  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
Hemmige S. Yathirajan
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Intermolecular Interactions ◽  
Crystal Packing ◽  
Chair Conformation ◽  
Centroid Distance ◽  
Sheet Structure ◽  
Benzene Rings ◽  
Π Stacking Interaction ◽  
The Mean

In the title salt, C6H13N2O+·C6H2N3O7−(systematic name: 4-acetylpiperazin-1-ium 2,4,6-trinitrophenolate), the piperazin-1-ium ring has a slightly distorted chair conformation. In the picrate anion, the mean planes of the twoo-NO2andp-NO2groups are twisted with respect to the benzene ring by 15.0 (2), 68.9 (4) and 4.4 (3)°, respectively. In the crystal, N—H...O hydrogen bonds are observed, linking the ions into an infinite chain along [010]. In addition, weak cation–anion C—H...O intermolecular interactions and a weak π–π stacking interaction between the benzene rings of the anions, with an inter-centroid distance of 3.771 (8) Å, help to stabilize the crystal packing, giving an overall sheet structure lying parallel to (100). Disorder was modelled for one of the O atoms in one of theo-NO2groups over two sites with an occupancy ratio of 0.57 (6):0.43 (6).

scholarly journals 3-(4-Fluorobenzoyl)-4-(4-fluorophenyl)-4-hydroxy-2,6-diphenylcyclohexane-1,1-dicarbonitrile

2014 ◽  
Vol 70 (6) ◽  
pp. o736-o737
Author(s):  
B. Narayana ◽  
M Sapnakumari ◽  
Balladka K. Sarojini ◽  
Jerry P. Jasinski
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Compound C ◽  
Phenyl Rings ◽  
Ring Motif

In the title compound, C33H24F2N2O2, the cyclohexane ring adopts a slightly distorted chair conformation. The dihedral angle between the planes of the phenyl rings is 71.80 (9)°, while the planes of the fluorophenyl and fluorobenzoyl rings are inclined to one another by 31.04 (10)°. The dihedral angles between the planes of the phenyl ring adjacent to the 4-hydroxy group and those of the the fluorophenyl and fluorobenzoyl rings are 51.64 (10) and 34.31 (10)°, respectively, while the corresponding angles for the phenyl ring adjacent to the 3-(4-fluorobenzoyl) group are 57.51 (9) and 85.02 (10)°, respectively. An intramolecular O—H...O hydrogen bond generates anS(6) ring motif. In the crystal, molecules are linkedviapairs of O—H...N hydrogen bonds, forming inversion dimers. The dimers are linkedviaC—H...N and C—H...O hydrogen bonds, forming chains along thec-axis direction. C—H...F hydrogen bonds link the chains into sheets lying parallel to thebcplane.

scholarly journals Crystal structure of (E)-2-[(2-hydroxy-4-methoxyphenyl)(phenyl)methylidene]-N-phenylhydrazine-1-carboxamide

2015 ◽  
Vol 71 (4) ◽  
pp. 427-430 ◽  
Author(s):  
C. F. Annie ◽  
M. Sithambaresan ◽  
M. R. Prathapachandra Kurup
Keyword(s):  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Aromatic Rings ◽  
Phenolic Ring ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Phenyl Rings

The title compound, C21H19N3O3, has anEconformation about the azomethine double bond. The central moiety of the hydrazinecarboxamide moiety [–N—N—C(=O)—N–] has an almost coplanar arrangement [maximum deviation for the C atom = 0.010 (2) Å]. This central moiety is flanked by three aromatic rings and its mean plane makes dihedral angles of 24.7 (1), 72.91 (12) and 34.26 (11) Å, respectively, with the phenolic ring, the phenyl ring attached to the same C atom as the phenolic ring, and the phenylhydrazine ring. The adjacent phenolic and phenyl rings are twisted away from each other to reduce steric hindrance and make a dihedral angle of 80.59 (12)°. The phenolic and phenylhydrazine rings are inclined to one another by 28.89 (11)°. The rigidity of the molecule is increased by an intramolecular O—H...N hydrogen bond involving the phenolic hydrogen and the azomethine N atom. In the crystal, the carbonyl O atom forms bifurcated hydrogen bonds with the two NH atoms of the hydrazinic group, leading to the formation of chains propagating along [001]. Within the chains there are also C—H...O hydrogen bonds present. The chains are linkedviaC=O...π [3.4316 (18) Å] and parallel slipped π–π interactions, involving inversion-related benzene rings [centroid–centroid distance = 3.8850 (14) Å; inter-planar distance = 3.3895 (10) Å; slippage = 1.899 Å], forming sheets lying parallel to (100).

scholarly journals N-(6-Chloro-1-methyl-1H-imidazo[4,5-c]pyridin-4-yl)benzenesulfonamide

2014 ◽  
Vol 70 (4) ◽  
pp. o445-o445
Author(s):  
Venkatesh B. Devaru ◽  
K. S. Katagi ◽  
O. Kotresh ◽  
H. K. Arunkashi ◽  
H. C. Devarajegowda
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

The asymmetric unit of the title compound, C13H11ClN4O2S, contains two molecules (AandB), in which the dihedral angles between the 1H-imidazo[4,5-c]pyridine system and terminal phenyl ring are 80.83 (10) and 62.34 (1)°. In the crystal,A–Bdimers are linked by pairs of N—H...N hydrogen bonds, which generateR22(10) loops. The dimers are linked by C—H...O and C—H...Cl interactions, generating a three-dimensional network. Aromatic π–π stacking interactions [shortest centroid–centroid distance = 3.5211 (12) Å] are also observed.

scholarly journals (E)-4-Methoxy-N′-[(6-methyl-4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide monohydrate

2014 ◽  
Vol 70 (7) ◽  
pp. o784-o784 ◽  
Author(s):  
Yoshinobu Ishikawa ◽  
Kohzoh Watanabe
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Solvent Water ◽  
Centroid Distance

In the title hydrate, C19H16N2O4·H2O, the 4H-chromen-4-one segment is slightly twisted, with a dihedral angle between the two six-membered rings of 3.30 (5)°. The dihedral angles between the plane of the pyranone ring and the hydrazide plane and between the planes of the pyranone ring and the benzene ring of thep-methoxybenzene unit are 26.69 (4) and 2.23 (3)°, respectively. The molecule is connected to the solvent water molecule by an N—H...O hydrogen bond. In the crystal, there are π–π stacking interactions between centrosymmetrically related pyranone rings [centroid–centroid distance = 3.5394 (9) Å], as well as bridges formed by the water moleculesviaO—H...O hydrogen bonds.

scholarly journals Methyl 2-(2-bromobenzylidene)-5-(4-hydroxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate

2012 ◽  
Vol 68 (4) ◽  
pp. o1257-o1258 ◽  
Author(s):  
H. Nagarajaiah ◽  
Nikhath Fathima ◽  
Noor Shahina Begum
Keyword(s):  
Phenyl Ring ◽  
Supramolecular Assembly ◽  
Chair Conformation ◽  
Pyrimidine Ring ◽  
Stacking Interactions ◽  
Compound C ◽  
Methoxycarbonyl Group ◽  
Centroid Distance ◽  
The Mean ◽  
A Minor

In the title compound, C22H17BrN2O4S, the central dihydropyrimidine ring, with a chiral C atom, is significantly puckered and adopts a half-chair conformation with the chiral C atom displaced from the mean plane of the remaining ring atoms by 0.305 (6) Å. The hydroxy-phenyl ring is positioned axially to the pyrimidine ring and almost bisects it, the dihedral angle between the mean-planes of the two rings being 89.78 (12)°. The methoxycarbonyl group is disordered over two sites with an occupancy ratio of 0.568 (5):0.432 (5), resulting in a major and a minor conformer. In the crystal, O—H...N and C—H...S interactions result in sheets along thecaxis. The supramolecular assembly is stabilized by π–π stacking interactions between the 2-bromobenzylidene and thiazolopyrimidine rings [centroid–centroid distance = 3.632 (1) Å]. In addition, C—H...π interactions are also observed in the crystal structure.

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