scholarly journals N′-[(E)-2-Hydroxybenzylidene]-2-(6-methoxynaphthalen-2-yl)propanohydrazide: a redetermination

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Alaa F. Mohamed ◽  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bonds ◽  
Ambient Temperature ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Methyl Group ◽  
Π Interactions ◽  
Compound C ◽  
Additional Input ◽  
Independent Molecules

The structure of the title compound, C21H20N2O3, was originally determined at ambient temperature [Wuet al.(2007).Inorg. Chim. Acta,360, 3069–3074]. In this determination, with data collected at 150 K, the asymmetric unit comprises two independent molecules (1 and 2) that differ considerably in their conformations. In particular, the methyl group at the mid-point of molecule 2 is disordered over two sites. This was modelled with restraints so that the geometries of the two components are comparable and the disorder components refined to an occupancy ratio of 0.750 (6):0.250 (6). Intramolecular O—H...N and intermolecular N—H...O hydrogen bonds stabilize the structure with significant additional input from C—H...π interactions.

scholarly journals 3-Benzyl-5,5-diphenylimidazolidine-2,4-dione

IUCrData ◽  
2018 ◽  
Vol 3 (1) ◽  
Author(s):  
Walid Guerrab ◽  
Rachida Akrad ◽  
Mhammed Ansar ◽  
Jamal Taoufik ◽  
Joel T. Mague ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
Corrugated Sheets ◽  
Benzyl Substituent

The asymmetric unit of the title compound, C22H18N2O2, consists of two independent molecules differing primarily in the orientation of the benzyl substituent. The two independent molecules are associated through complementary C—H...π interactions and are elaborated into corrugated sheets by paired N—H...O and C—H...O hydrogen bonds. Additional C—H...O hydrogen bonds bind the sheets together.

[(Z)-2-(3-Methyl-1,2,4-oxadiazol-5-yl)-2-(1-naphthyl)ethenylamino]formaldehyde oxime 1,4-dioxane hemisolvate

2007 ◽  
Vol 63 (11) ◽  
pp. o4261-o4262
Author(s):  
Kensuke Okuda ◽  
Hiromi Watanabe ◽  
Takashi Hirota ◽  
Kazuma Gotoh ◽  
Hiroyuki Ishida
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Solvent Molecule ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Independent Molecules

In the asymmetric unit of the title compound, C16H14N4O2·0.5C4H8O2, there are two crystallographically independent oxime molecules and one solvent molecule. Each oxime molecule has intramolecular N—H...O and N—H...N hydrogen bonds, which make the non-H atoms approximately coplanar except for the naphthyl groups. The two independent molecules are connected to each other by O—H...N hydrogen bonds, forming a dimer. Dimers are linked into a layer through C—H...O, C—H...N and C—H...π interactions. There is π-stacking of approximately parallel oxadiazole rings, with a centroid–centroid distance of 3.6234 (9) Å and a dihedral angle of 8.90 (6)°. Dioxane C and H atoms are disordered over two sites each, with occupancy factors of ca 0.78:0.22.

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 3-(4-Chloroanilino)-5,5-dimethylcyclohex-2-en-1-one

2012 ◽  
Vol 68 (4) ◽  
pp. o1063-o1063
Author(s):  
Sumati Anthal ◽  
Ambika Sambyal ◽  
R. K. Bamzai ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Independent Molecules

The asymmetric unit of the title compound, C14H16ClNO, contains two independent molecules, both with the cyclohexene ring in a sofa conformation. In the crystal, N—H...O hydrogen bonds link the molecules related by translation along theaaxis into two crystallographically independent chains. Weak C—H...π interactions are also observed.

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.

5,7-Dimethyl-1,2,4-triazolo[1,5-a]pyrimidine

2006 ◽  
Vol 62 (4) ◽  
pp. o1310-o1311 ◽  
Author(s):  
Mustafa Odabaşoğlu ◽  
Orhan Büyükgüngör
Keyword(s):  
Hydrogen Bonds ◽  
Least Squares ◽  
Dihedral Angle ◽  
Title Compound ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
Planar Symmetry

The molecules in the title compound, C7H8N4, are linked into sheets by a combination of C—H...N hydrogen bonds and π–π interactions. The hydrogen bonds generate two-dimensional networks with a C(6) chain motif. There are two planar symmetry-independent molecules in the asymmetric unit, with a dihedral angle of 4.29 (8)° between their least-squares mean planes.

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 (6-Fluoro-2-oxo-2H-chromen-4-yl)methyl diethylcarbamodithioate

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
Nasseem El-Khatatneh ◽  
Chandra ◽  
B. M. Rajesh ◽  
Shamantha Kumar ◽  
B. H. Doreswamy ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules ◽  
Chromene Ring

The title compound, C15H16FNO2S2, crystallizes with two independent molecules (AandB) in the asymmetric unit. They differ essentially in the orientation of the ethyl groups. The chromene rings are planar (r.m.s. deviations = 0.013 Å for both molecules), with the maximum deviation from the ring planes being 0.014 (2) and 0.018 (2) Å for atoms C9Aand C9B, respectively. The mean plane of the chromene ring makes dihedral angles of 80.01 (7) and 76.97 (8)° with the carbamodithioate moiety [(N—C(=S)—S] of moleculesAandB, respectively. In the crystal, the two molecules are linked by C—H...S hydrogen bonds, forming a ladder-like arrangement propagating along thea-axis direction. Within the ladders there are offset π–π interactions involving the coumarins rings of theBmolecules [intercentroid distances vary from 3.705 (2) to 3.860 (1) Å]. Neighbouring ladders are linkedviaoffset π–π interactions involving the coumarins rings of theAmolecules [intercentroid distances vary from 3.539 (1) to 3.601 (1) Å]. These latter interactions lead to the formation of layers parallel to theacplane.

scholarly journals Ethyl 2-(6-nitro-1H-indazol-1-yl)acetate

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
Mohamed Mokhtar Mohamed Abdelahi ◽  
Youness El Bakri ◽  
Mohammed Benchidmi ◽  
El Mokhtar Essassi ◽  
Joel T. Mague
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Positional Disorder ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C11H11N3O4, comprises two independent molecules, both of which display positional disorder of their ethyl chains in 0.868 (4):0.132 (4) and 0.839 (4):0.161 (4) ratios. The packing is directed by a combination of C—H...O hydrogen bonds and N—O...π interactions between nitro groups and the aromatic rings.

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