scholarly journals 7-Chloro-4-[(E)-2-(2,5-dimethoxybenzylidene)hydrazin-1-yl]quinoline

2012 ◽  
Vol 68 (4) ◽  
pp. o1244-o1245 ◽  
Author(s):  
Marcus V. N. de Souza ◽  
Marcelle de Lima Ferreira ◽  
Solange M. S. V. Wardell ◽  
Edward R. T. Tiekink ◽  
James L. Wardell
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Supramolecular Chains

In the nearly planar title compound (r.m.s. deviation for the 24 non-H atoms = 0.064 Å), C18H16ClN3O2, the conformation about the N=C bond isE. Supramolecular chains propagated by glide symmetry along [001] are found in the crystal packing. These are sustained by N—H...N hydrogen bonds with the quinoline N atom being the acceptor. The chains are connected into a three-dimensional architecture by π–π interactions involving all three aromatic rings [centroid–centroid distances = 3.5650 (9)–3.6264 (9) Å].

scholarly journals 3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione

2014 ◽  
Vol 70 (7) ◽  
pp. o766-o767 ◽  
Author(s):  
Fatmah A. M. Al-Omary ◽  
Hazem A. Ghabbour ◽  
Ali A. El-Emam ◽  
C. S. Chidan Kumar ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Triazole Ring ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Supramolecular Chains

The title compound, C19H23N3S, is a functionalized triazoline-3-thione derivative. The benzyl ring is almost normal to the planar 1,2,4-triazole ring (r.m.s. deviation = 0.007 Å) with a dihedral angle of 86.90 (7)°. In the crystal, molecules are linked by pairs of N—H...S hydrogen bonds, forming inversion dimers that encloseR22(8) loops. The crystal packing is further stabilized by weak C—H...π interactions that link adjacent dimeric units into supramolecular chains extending along thea-axis direction.

scholarly journals N′-(3-Hydroxybenzylidene)-4-methylbenzohydrazide

2012 ◽  
Vol 68 (6) ◽  
pp. o1816-o1816
Author(s):  
Ji-Lai Liu ◽  
Ming-Hui Sun ◽  
Jing-Jun Ma
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

The title compound, C15H14N2O2, was obtained from the reaction of 3-hydroxybenzaldhyde and 4-methylbenzohydrazide in methanol. In the molecule, the benzene rings form a dihedral angle of 2.9 (3)°. In the crystal, N—H...O and O—H...O hydrogen bonds link the molecules into layers parallel to (101). The crystal packing also exhibits π–π interactions between the aromatic rings [centroid–centroid distance = 3.686 (4) Å].

scholarly journals 2,6-Bis(1H-benzimidazol-2-yl)pyridine butyric acid monosolvate dihydrate

2012 ◽  
Vol 68 (6) ◽  
pp. o1820-o1820 ◽  
Author(s):  
Songzhu Lin ◽  
Ruokun Jia ◽  
Aimin He
Keyword(s):  
Hydrogen Bonds ◽  
Butyric Acid ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Molecular Skeleton

In the title compound, C19H13N5·C4H8O2·2H2O, the molecular skeleton of the 2,6-bis(benzimidazol-2-yl)pyridine (bbip) molecule is essentially planar (r.m.s. deviation = 0.023 Å). An extensive three-dimensional network of intermolecular N—H...O, O—H...O and O—H...N hydrogen bonds consolidates the crystal packing, which also exhibits π–π interactions between the five- and six-membered rings from neighbouring bbip molecules.

scholarly journals Crystal structure of (1S*,2R*)-7-benzyloxy-2-methyl-3-tosyl-2,3,4,5-tetrahydro-1H-3-benzazepin-1-ol: elucidation of the relative configuration of potent allosteric GluN2B selective NMDA receptor antagonists

2016 ◽  
Vol 72 (5) ◽  
pp. 683-686
Author(s):  
Bastian Tewes ◽  
Bastian Frehland ◽  
Roland Fröhlich ◽  
Bernhard Wünsch
Keyword(s):  
Crystal Structure ◽  
Nmda Receptor ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Nmda Receptor Antagonists ◽  
Aromatic Rings ◽  
Relative Configuration ◽  
Π Interactions ◽  
Compound C

In the title compound, C25H27NO4S, which crystallized as a racemate, the relative configuration of the adjacent OH and CH3groups on the azepine ring istrans. The seven-membered azepin ring has a chair-like conformation. The planar aromatic rings of the benzyl and tosylate moiety are inclined to the planar 3-benzazepine ring by 78.39 (15) and 77.03 (14)°, respectively, and to each another by 13.82 (15)°. In the crystal, molecules are linkedviaO—H...O and C—H...O hydrogen bonds, forming double-stranded chains along thea-axis direction. The chains are linkedviaC—H...π interactions, forming a three-dimensional architecture.

scholarly journals Crystal structure of 4-methyl-N-(4-methylbenzyl)benzenesulfonamide

2020 ◽  
Vol 76 (2) ◽  
pp. 235-238
Author(s):  
Brock A. Stenfors ◽  
Richard J. Staples ◽  
Shannon M. Biros ◽  
Felix N. Ngassa
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Substitution Reaction ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

The title compound, C15H17NO2S, was synthesized via a substitution reaction between 4-methylbenzylamine and p-toluenesulfonyl chloride. In the crystal, N—H...O hydrogen bonds link the molecules, forming ribbons running along the b-axis direction. One of the aromatic rings hosts two intermolecular C—H...π interactions that link these hydrogen-bonded ribbons into a three-dimensional network.

Ethyl 4-amino-5-cyano-2-methyl-6-(2-nitrophenoxy)nicotinate

2007 ◽  
Vol 63 (11) ◽  
pp. o4320-o4320
Author(s):  
Qing-Yun Ren ◽  
Hong-Wu He ◽  
Yong-Yan Yao ◽  
Yu-Cheng Gu
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Framework Structure ◽  
Π Interactions ◽  
Compound C ◽  
The Stability

In the title compound, C16H14N4O5, the benzene ring of the nicotinate residue is inclined at an angle of 64.06 (10)° to the benzene ring of the nitrophenoxy group. The molecules are linked by two intermolecular C—H...O and N—H...N hydrogen bonds into a complex three-dimensional framework structure. C—H...π interactions also contribute to the stability of the crystal packing.

scholarly journals Crystal structure of bis{μ-4,4′-[1,3-phenylenebis(oxy)]dibenzoato-κ4O,O′:O′′,O′′′}bis[(1,10-phenanthroline-κ2N,N′)zinc(II)] dihydrate

2014 ◽  
Vol 70 (10) ◽  
pp. m341-m342
Author(s):  
Ya-Ping Li ◽  
Li-Ying Han ◽  
Julia Ming ◽  
Hu Zang ◽  
Guan-Fang Su
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Distorted Octahedron ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Π Stacking ◽  
Dimensional Network

Two 4,4′-[1,3-phenylenebis(oxy)]dibenzoate anions bridge two 1,10-phenanthroline-chelated ZnIIcations about a center of inversion to generate the dinuclear title compound, [Zn2(C20H12O6)2(C12H8N2)2]·2H2O. The geometry about the ZnIIatom is a distorted octahedron. In the crystal, the molecules are connected by classical O—H...O hydrogen bonds, weak C—H...O hydrogen bonds and C—H...π interactions, forming a three dimensional network. π–π stacking is also observed between aromatic rings of adjacent molecules, centroid–centroid distances are 3.753 (2), 3.5429 (16) and 3.5695 (17) Å.

scholarly journals [4-(Allyloxy)phenyl](phenyl)methanone

2014 ◽  
Vol 70 (7) ◽  
pp. o814-o815
Author(s):  
Richard F. D'Vries ◽  
Carlos D. Grande ◽  
Manuel N. Chaur ◽  
Javier A. Ellena ◽  
Rigoberto C. Advincula
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

The structure of the title compound, C16H14O2, features a dihedral angle of 54.4 (3)° between the aromatic rings. The allyl group is rotated by 37.4 (4)° relative to the adjacent benzene ring. The crystal packing is characterized by numerous C—H...O and C—H...π interactions. Most of these interactions occur in layers along (011). The layers are linked by C—H...π interactions along [100], forming a three-dimensional network.

scholarly journals Benzyl 3-(3,4,5-trimethoxybenzylidene)dithiocarbazate

IUCrData ◽  
2016 ◽  
Vol 1 (2) ◽  
Author(s):  
M. A. A. A. A. Islam ◽  
M. C. Sheikh ◽  
A. A. Mahmud ◽  
R. Miyatake ◽  
E. Zangrando
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Compound C ◽  
The Mean ◽  
Ring Motif

The title compound, C18H20N2O3S2, a dithiocarbazate derivative, adopts anEconformation about the C=N bond. The trimethoxyphenyl group and the dithiocarbazate fragment lie almost in the same plane, with the mean plane of the dithiocarbazate unit being inclined to the trimethoxyphenyl ring by 13.34 (6)°. The aromatic rings are inclined to one another by 75.30 (9)°. In the crystal, molecules are linkedviapairs of N—H...S hydrogen bonds, forming inversion dimers with anR22(8) ring motif. The dimers are linkedviaC—H...O hydrogen bonds, forming undulating sheets lying parallel to (103) which are linkedviaC—H...π interactions, forming a three-dimensional supramolecular structure.

scholarly journals N-(2-Formylphenyl)-4-toluenesulfonamide: a second monoclinic polymorph

2012 ◽  
Vol 68 (4) ◽  
pp. o1009-o1010 ◽  
Author(s):  
S. Murugavel ◽  
N. Manikandan ◽  
D. Kannan ◽  
M. Bakthadoss
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Aromatic Rings ◽  
Acta Cryst ◽  
Space Group ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance

The title compound, C14H13NO3S, (I), is a second monoclinic polymorph. The original polymorph, (II), was reported by Mahíaet al.[Acta Cryst.(1999), C55, 2158–2160]. Polymorph (II) crystalllized in the space groupP21/c(Z= 4), whereas the title polymorph (I) occurs in the space groupP21/n(Z= 4). The dihedral angle between the two aromatic rings is 75.9 (1)° in (I) compared to 81.9 (1)° for (II). In both polymorphs, twoS(6) rings are generated by intramolecular N—H...O and C—H...O hydrogen bonds, resulting in similar molecular geometries. However, the two polymorphs differ concerning their crystal packing. In (I), molecules are linked intoC(8) zigzag chains along thebaxis by C—H...O hydrogen bonds, whereas in (II) molecules are linked by C—H...O hydrogen bonds, formingC(7) chains along thebaxis. The title polymorph is further stabilized by intermolecular C—H...π and π–π interactions [centroid–centroid distance = 3.814 (1) Å]. These interactions are not evident in polymorph (II).

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