2-(4-Chlorophenyl)-N-{3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-3-methylbutanamide ethanol solvate

2006 ◽  
Vol 62 (5) ◽  
pp. o1836-o1838
Author(s):  
Jing-Li Cheng ◽  
Fang-Lin Wei ◽  
Wen-Jun Gui ◽  
Guo-Nian Zhu
Keyword(s):  
Hydrogen Bond ◽  
Title Compound ◽  
Cyano Group ◽  
Solvent Molecule ◽  
Hydroxyl Group ◽  
Asymmetric Unit ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Ethanol Solvate ◽  
Hydrogen Bonded

In the title compound, C22H16Cl3F3N4O·C2H6O, the asymmetric unit consists of one molecule of C22H16Cl3F3N4O and one ethanol solvent molecule which are connected through an N—H...O hydrogen bond. The H atom of the hydroxyl group of the solvent molecule is hydrogen bonded to the N atom of the cyano group. These hydrogen-bond interactions result in the formation of zigzag chains parallel to the a axis.

3-(tert-Butyliminomethyl)-1,1′-binaphthol ethanol solvate

2007 ◽  
Vol 63 (11) ◽  
pp. o4288-o4288
Author(s):  
Xiao-Yan Ma ◽  
Lin-Zhi Zhong ◽  
Wei Wu ◽  
Kun Wang ◽  
Rui-Xiang Li
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Metal Ions ◽  
Asymmetric Catalysis ◽  
Title Compound ◽  
Solvent Molecule ◽  
Compound C ◽  
Ethanol Solvate

The 1,1′-bi-2,2′-naphthol (BINOL) backbone of the title compound, C25H23NO2·C2H6O, indicates that it has potential in asymmetric catalysis, with the two hydroxy and the imino groups providing sites for coordination with metal ions as an O/N heterotridentate ligand. There is an intramolecular O—H...N hydrogen bond which forms a ring, and intermolecular O—H...O hydrogen bonds to the ethanol solvent molecule, which link two ethanol molecules and two naphthol molecules around a centre of symmetry.

scholarly journals Crystal structure of 2-[(E)-4-benzyloxy-2-hydroxybenzylidene]-N-cyclohexylhydrazinecarbothioamide acetonitrile hemisolvate

2014 ◽  
Vol 70 (9) ◽  
pp. o987-o988 ◽  
Author(s):  
N. R. Sajitha ◽  
M. Sithambaresan ◽  
M. R. Prathapachandra Kurup
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Molecular Conformation ◽  
Solvent Molecule ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C21H25N3O2S·0.5C2H3N, contains two independent molecules with almost similar structural properties along with a solvent molecule of acetonitrile. The compound exists in theEconformation with respect to the azomethine C=N double bond. The hydrazinecarbothioamide moieties in both independent molecules are almost planar [maximum deviations of 0.013 (2) and 0.007 (2) Å]. The molecular conformation is stabilized in each case by an intramolecular N—H...N hydrogen bond. In the crystal, pairs of N—H...S hydrogen bonds link each of the independent molecules into inversion dimers. The dimers are interconnected by means of three C—H...π interactions.

scholarly journals 1,4-Diazoniabicyclo[2.2.2]octane tetrachloridocadmate(II) monohydrate

2014 ◽  
Vol 70 (5) ◽  
pp. m178-m178 ◽  
Author(s):  
Tarek Ben Rhaiem ◽  
Habib Boughzala
Keyword(s):  
Hydrogen Bond ◽  
Water Molecule ◽  
Title Compound ◽  
Lattice Water Molecule ◽  
Asymmetric Unit ◽  
Solvate Water Molecule ◽  
Lattice Water ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Anionic Species

The asymmetric unit of the title compound (C6H14N2)[CdCl4]·H2O contained one 1,4-diazabicyclo[2.2.2]octane dication, a tetrahedral CdCl42−anion and a lattice water molecule. In the crystal, the solvate water molecule interacts with the cationic and anionic speciesviaN—H...O and O—H...Cl [O...Cl = 3.289 (7) Å] hydrogen-bond interactions, respectively, leading to a layered supramolecular structure extending parallel to (011).

scholarly journals Crystal structure of tetrakis(1-oxidopyridin-2-yl)methane methanol tetrasolvate

2015 ◽  
Vol 71 (10) ◽  
pp. o754-o755
Author(s):  
Kouzou Matsumoto ◽  
Kazuaki Kawashita ◽  
Masaki Kannami ◽  
Masaji Oda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Solvent Molecule ◽  
Asymmetric Unit ◽  
Compound C ◽  
Oxide Derivative

The asymmetric unit of the title compound, C21H16N4O4·4CH3OH, consists of a quarter molecule of tetrakis(1-oxidopyridin-2-yl)methane and one methanol solvent molecule. In the crystal, the pyridineN-oxide derivative is located about a fourfold rotoinversion axis and exhibitsS4symmetry along thecaxis. An intermolecular O—H...O hydrogen bond is observed between the O atom of the pyridineN-oxide and the OH group of the methanol. An intermolecular C—H...O bond is also observed between adjacent pyridineN-oxide rings.

(4-Pyridyl)methyl N-phenylthiocarbamate

2006 ◽  
Vol 62 (7) ◽  
pp. o2852-o2853 ◽  
Author(s):  
Hai-Lian Xiao ◽  
Ke-Fei Wang ◽  
Fang-Fang Jian
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Intermolecular Hydrogen Bond ◽  
Phenyl Isothiocyanate ◽  
Dioxane Solution ◽  
Asymmetric Unit ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Independent Molecules

The title compound, C13H12N2OS, was prepared by the reaction of (4-pyridyl)methanol with phenyl isothiocyanate and NaOH in a 1,4-dioxane solution. The asymmetric unit contains two independent molecules. The molecular structure and packing are stabilized by N—H...N intermolecular hydrogen-bond interactions and C—H...π interactions.

scholarly journals 4-Chloroanilinium 3-carboxyprop-2-enoate

2012 ◽  
Vol 68 (4) ◽  
pp. o959-o960 ◽  
Author(s):  
R. Anitha ◽  
S. Athimoolam ◽  
S. Asath Bahadur ◽  
M. Gunasekaran
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Amine Group ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Bond Forming ◽  
Compound C ◽  
Hydrogen Bonded

In the title compound, C6H7ClN+·C4H3O4−, the cations and anions lie on mirror planes and hence only half of the molecules are present in the asymmeric unit. The 4-chloroanilinium cation and hydrogen maleate anion in the asymmetric unit are each planar and are oriented at an angle of 15.6 (1)° to one another and perpendicular to thebaxis. A characterestic intramolecular O—H...O hydrogen bond, forming an S(7) motif, is observed in the maleate anion. In the crystal, the cations and anions are linked by N—H...O hydrogen bonds, forming layers in theabplane. The aromatic rings of the cations are sandwiched between hydrogen-bonded chains and rings formed through the amine group of the cation and maleate anions, leading to alternate hydrophobic (z= 0 or 1) and hydrophilic layers (z= 1/2) along thecaxis.

scholarly journals Bis(3-azaniumylpropyl)azanium hexachloridobismuthate(III) monohydrate

2013 ◽  
Vol 69 (12) ◽  
pp. m666-m666 ◽  
Author(s):  
Nizar Elfaleh ◽  
Hassen Chouaib ◽  
Slaheddine Kamoun
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Dimensional Network

The asymmetric unit of the title compound, (C6H20N3)[BiCl6]·H2O, consists of a triprotonated bis(3-azaniumylpropyl)azanium cation, two halves of an octahedral [BiCl6]3−anion, each of the BiIIIatoms lying on an inversion centre, and a water molecule. In the crystal, the anions and water molecules are linked by O—H...Cl hydrogen bonds, forming chains running parallel to [0-11]. The anionic chains and the cations are further linked into a three-dimensional network by N—H...Cl and N—H...O hydrogen-bond interactions.

scholarly journals Crystal structure of methyl 2-hydroxy-5-[(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)amino]benzoate

2015 ◽  
Vol 71 (5) ◽  
pp. o282-o283 ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Hajjaj H. M. Abdu-Allah ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Heterocyclic Ring ◽  
Hydroxyl Group ◽  
Asymmetric Unit ◽  
Compound C ◽  
Rotational Orientation ◽  
Independent Molecules

The title compound, C11H10N2O4S, crystallized with two independent molecules (AandB) in the asymmetric unit. They differ primarily in the rotational orientation of the five-membered heterocyclic ring. In moleculeAthis ring is inclined to the benzene ring by 48.17 (8)°, while in moleculeBthe same dihedral angle is 23.07 (8)°. In each molecule there is an intramolecular O—H...O hydrogen bond involving the adjacent hydroxyl group and the ester carbonyl O atom. In the crystal, theAmolecules are linkedviapairs of N—H...N hydrogen bonds, forming inversion dimers. These dimers are linked to theBmoleculesviaN—H.·O, C—H...O and C—H...S hydrogen bonds forming corrugated sheets lying parallel to (102).

4-Methylbenzamide oxime

2006 ◽  
Vol 62 (7) ◽  
pp. o3105-o3106
Author(s):  
Hai-Bo Wang ◽  
Xiao-Chen Yan ◽  
Zhi-Qian Liu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Hydrogen Bond Interactions ◽  
Compound C

The title compound, C8H10N2O, is a derivative of benzonitrile. It crystallizes with two molecules per asymmetric unit. There are intramolecular N—H...O hydrogen bonds, as well as intermolecular N—H...O and O—H...N hydrogen-bond interactions.

scholarly journals 2-({[(2S)-1-Hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)-4,6-bis(4-methylphenyl)phenol

IUCrData ◽  
2020 ◽  
Vol 5 (12) ◽  
Author(s):  
Veronica L. Show ◽  
Emily Y. Fok ◽  
Adam R. Johnson
Keyword(s):  
Hydrogen Bond ◽  
Intramolecular Hydrogen Bond ◽  
Title Compound ◽  
Aliphatic Alcohol ◽  
Hydroxyl Group ◽  
Asymmetric Unit ◽  
Orthorhombic Space Group ◽  
Imine Nitrogen ◽  
Compound C ◽  
Intramolecular Hydrogen

The title compound, C42H37NO2, crystallizes in the orthorhombic space group P212121 with one molecule in the asymmetric unit. An intramolecular hydrogen bond orients the phenol hydroxyl group toward the imine nitrogen. The aliphatic alcohol is engaged in a weak intramolecular hydrogen bond with the imine nitrogen.

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