scholarly journals Crystal structure of 3-methylpyridine-2-carbaldehyde 4-methylthiosemicarbazone monohydrate

2015 ◽  
Vol 71 (4) ◽  
pp. o253-o254
Author(s):  
Nur Shuhada Mohd Mokhtaruddin ◽  
Thahira Begum S. A. Ravoof ◽  
Mohamed Ibrahim Mohamed Tahir ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Pyridine Ring ◽  
Organic Molecule ◽  
Water Molecules ◽  
Specific Interactions ◽  
Axis Direction

In the title hydrate, C9H12N4S·H2O (systematic name: 3-methyl-1-{(E)-[(3-methylpyridin-2-yl)methylidene]amino}thiourea monohydrate), a small twist is noted between the pyridine ring and the rest of the organic molecule [dihedral angle = 6.96 (5)°]. The imine and pyridine N atoms aresyn, and the amine H atoms areanti. The latter arrangement allows for the formation of an intramolecular N—H...N(imine) hydrogen bond. Both the N-bonded H atoms form hydrogen bonds to symmetry-related water molecules, and the latter forms O—H hydrogen bonds with the pyridine N and thione S atoms. These interactions lead to supramolecular layers that stack along thea-axis direction with no specific interactions between them.

scholarly journals Crystal structure of 2′-hydroxyacetophenone 4-methylthiosemicarbazide

2015 ◽  
Vol 71 (4) ◽  
pp. o244-o245
Author(s):  
Junita Jamsari ◽  
Nur Fatihah Abas ◽  
Thahira Begum S. A. Ravoof ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Organic Molecule ◽  
Side Chain ◽  
Water Molecules ◽  
Ethyl Group

In the organic molecule of the title hydrate, C11H15N3OS·H2O, {systematic name: 3-ethyl-1-{(E)-[1-(2-hydroxyphenyl)ethylidene]amino}thiourea monohydrate}, a dihedral angle of 5.39 (2)° is formed between the hydroxybenzene ring and the non-H atoms comprising the side chain (r.m.s. deviation = 0.0625 Å), with the major deviation from planarity noted for the terminal ethyl group [the C—N—C—C torsion angle = −172.17 (13)°]. The N—H H atoms aresynand an intramolecular hydroxy–imine O—H...N hydrogen bond is noted. In the crystal, the N-bonded H atoms form hydrogen bonds to symmetry-related water molecules, and the latter form donor interactions with the hydroxy O atom and with a hydroxybenzene ring, forming a O—H...π interaction. The hydrogen bonding leads to supramolecular tubes aligned along thebaxis. The tubes are connected into layersviaC—H...O interactions, and these stack along thecaxis with no directional interactions between them.

scholarly journals Crystal structure of 4-bromo-2-[(E)-N-(2,2,6,6-tetramethylpiperidin-4-yl)carboximidoyl]phenol dihydrate

2015 ◽  
Vol 71 (5) ◽  
pp. o349-o350
Author(s):  
Joel T. Mague ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Antar A. Abdelhamid ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Organic Molecule ◽  
Organic Molecules ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Water Molecules ◽  
Equatorial Orientation

In the title hydrate, C16H23BrN2O·2H2O, the organic molecule features a strong intramolecular O—H...N hydrogen bond. The piperidine ring, in addition, adopts a chair conformation with the exocyclic C—N bond in an equatorial orientation. The water molecules of crystallization are disordered (each over two sets of sites with half occupancy. In the crystal, they associate into corrugated (100) sheets of (H2O)4tetramers linked by O—H...O hydrogen bonds. The organic molecules, in turn, are arranged at both sides of these sheets, linked by water–piperidine O—H...N hydrogen bonds.

scholarly journals Crystal structure of (E)-N′-(3-fluoro-2-hydroxybenzylidene)isonicotinohydrazide

2017 ◽  
Vol 73 (8) ◽  
pp. 1151-1153
Author(s):  
Suwadee Jiajaroen ◽  
Kittipong Chainok ◽  
Filip Kielar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Motif

In the title compound, C13H10FN3O2, the molecule has an E conformation with respect to the C=N bond of the hydrazone bridge. The dihedral angle between the isonicotinoyl and fluorophenol moieties is 4.03 (4)°, and an intramolecular O—H...N hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked by N—H...N and C—H...N hydrogen bonds, forming chains propagating along the a-axis direction. The chains are linked by C—H...O hydrogen bonds, resulting in the formation of layers lying parallel to the ab plane. The crystal structure also features π–π interactions [centroid-to-centroid distance = 3.6887 (8) Å].

N-(2-Pyridylcarbonyl)benzamide

2007 ◽  
Vol 63 (3) ◽  
pp. o1455-o1456 ◽  
Author(s):  
Gilles Gasser ◽  
Helen Stoeckli-Evans
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Polymer Chain ◽  
Title Compound ◽  
Phenyl Ring ◽  
Pyridine Ring ◽  
Axis Direction ◽  
Compound C ◽  
Phenyl Rings

The title compound, C13H10N2O2, has a Z,Z (trans–trans) arrangement of the central CONHCO group and an intramolecular N—H...N hydrogen bond. The molecule has a twisted conformation; the pyridine ring, which is almost parallel to the plane of the amide function at position 2, is inclined to the phenyl ring by 50.05 (6)°. In the crystal structure, symmetry-related molecules are linked by C—H...O hydrogen bonds, forming a zigzag polymer chain extending in the a-axis direction. The chains are linked by a C—H...π interaction involving phenyl rings of adjacent chains. There is also a π–π interaction involving pyridine rings related by a center of symmetry.

scholarly journals Crystal structure of (2E)-2-methoxyimino-2-{2-[(2-methylphenoxy)methyl]phenyl}-N′-(4-nitrobenzylidene)ethanohydrazide

2015 ◽  
Vol 71 (4) ◽  
pp. 377-379 ◽  
Author(s):  
Chetan Shrimandhar Shripanavar ◽  
Ray J. Butcher
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Central Core ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Compound C ◽  
Methyl Phenyl

The title compound, C24H22N4O5, crystallizes with two molecules in the asymmetric unit (Z′ = 2) oriented almost perpendicular to each other [dihedral angle between the central core of each molecule = 77.95 (3)°]. The two molecules exhibit similar conformations with an extended structure. An intramolecular C—H...N hydrogen bond occurs in each molecule. The two molecules are linked by a bifurcated N—H...(O,N) hydrogen bond involving the NH group in moleculeAas donor. They are further linked into a ribbon along thea-axis direction by further bifurcated N—H...(O,N) hydrogen bonds involving the NH group in moleculeBas donor. C—H...O interactions are also observed.

scholarly journals Crystal structure of potassium [4-amino-5-(benzo[d]thiazol-2-yl)-6-(methylsulfanyl)pyrimidin-2-yl](phenylsulfonyl)azanide dimethylformamide monosolvate hemihydrate

2019 ◽  
Vol 75 (3) ◽  
pp. 367-371 ◽  
Author(s):  
Rasha A. Azzam ◽  
Galal H. Elgemeie ◽  
Rokia R. Osman ◽  
Peter G. Jones
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Potassium Ion ◽  
Water Molecules ◽  
Potassium Ions ◽  
Asymmetric Unit ◽  
Compound K ◽  
Axis Direction

The title compound, K+·C18H14N5O2S3 −·C3H7NO·0.5H2O, was obtained in a reaction designed to deliver a neutral 2-pyrimidylbenzothiazole. The anion is deprotonated at the sulfonamide nitrogen. The asymmetric unit of the title compound contains two potassium cations, two anions, two molecules of DMF and one of water. The anions display some conformational differences but each contains an intramolecular N—H...Nbenzothiazole hydrogen bond. The potassium ions both display a highly irregular six-coordination, different for each potassium ion. The anions, together with the DMF and water molecules, are linked by four classical hydrogen bonds to form chains parallel to the b-axis direction.

scholarly journals Crystal structure of (E)-4-hydroxy-N′-(3-hydroxybenzylidene)benzohydrazide monohydrate

2014 ◽  
Vol 70 (9) ◽  
pp. o891-o892 ◽  
Author(s):  
William T. A. Harrison ◽  
John Nicolson Low ◽  
James L. Wardell
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Hydroxy Group ◽  
Torsion Angle ◽  
Organic Molecules ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Aromatic Rings

In the title benzohydrazide hydrate, C14H12N2O3·H2O, the dihedral angle between the aromatic rings is 58.11 (6)° and the C=O and N—H groups adopt anantiorientation. The main twist in the molecule occurs about the C(=O)—Car(ar = aromatic) bond, with an N—C(=O)—Car—Cartorsion angle of −43.5 (2)°. In the crystal, the components are linked by N—H...O, O—H...N and O—H...O hydrogen bonds. These interactions generate [10-1] chains, with adjacent organic molecules linked by inversion symmetry generating either pairs of N—H...O links [R22(16) loops] or pairs of O—H...O links [R22(20) loops]. Pairs of water molecules are located in theR22(20) loops and form their own O—H...O and O—H...N hydrogen bonds to adjacent organic molecules in the chain. Finally, an interchain O—H...O hydrogen-bond link from the 4-hydroxy group generates (010) sheets.

scholarly journals Crystal structure and Hirshfeld surface analysis of (E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one

2018 ◽  
Vol 74 (10) ◽  
pp. 1451-1454 ◽  
Author(s):  
N. R. Sreenatha ◽  
B. N. Lakshminarayana ◽  
D. P. Ganesha ◽  
C. R. Gnanendra
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Surface Analysis ◽  
Intermolecular Interactions ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Axis Direction ◽  
Ring Motif

The title chalcone derivative, C14H10Cl2O3, is almost planar, with a dihedral angle of 7.0 (2) ° between the 3,5-dichloro-2-hydroxyphenyl and 5-methylfuran rings. There is an intramolecular O—H...O hydrogen bond present forming an S(6) ring motif. In the crystal, molecules are linked by bifurcated C—H/H...O hydrogen bonds, enclosing an R 1 2(6) ring motif, forming a 21 helix propagating along the b-axis direction. The intermolecular interactions were quantified using Hirshfeld surface analysis.

scholarly journals Crystal structure ofN-hydroxypicolinamide monohydrate

2016 ◽  
Vol 72 (2) ◽  
pp. 117-119 ◽  
Author(s):  
Inna S. Safyanova ◽  
Kateryna A. Ohui ◽  
Irina V. Omelchenko
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyridine Ring ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Compound C ◽  
Centroid Distance

The crystal structure of the title compound, C6H6N2O2·H2O, consists ofN-hydroxypicolinamide and water molecules connected through O—H...O and N—H...N hydrogen bonds. The O—H...O interactions and π–π stacking interactions between the pyridine rings [centroid–centroid distance = 3.427 (1) Å] organize the components into columns extending along thebaxis and the N—H...N hydrogen bonds link these columns into a two-dimensional framework parallel to (100). TheN-hydroxypicolinamide molecule adopts a strongly flattened conformation and only the O—H group H atom deviates significantly from the molecule best plane. The dihedral angle between the hydroxamic group and the pyridine ring is 5.6 (2)°. The conformation about the hydroxamic group C—N bond isZand that about the C—C bond between the pyridine and hydroxamic groups isE.

scholarly journals Crystal structure of 4-(dimethylamino)pyridinium 4-aminobenzoate dihydrate

2015 ◽  
Vol 71 (1) ◽  
pp. o26-o27
Author(s):  
A. Thirunavukkarasu ◽  
A. Silambarasan ◽  
R. Mohan Kumar ◽  
P. R. Umarani ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Water Molecules ◽  
Π Interactions ◽  
Dimensional Network ◽  
Molecular Salt

In the title hydrated molecular salt, C7H11N2+·C7H6NO2−·2H2O, the cation is protonated at the pyridine N atom and the dihedral angle between the benzene ring and the CO2−group in the anion is 8.5 (2)°. In the crystal, the cation forms an N—H...O hydrogen bond to the anion and the anion forms two N—H...O hydrogen bonds to adjacent water molecules. Both water molecules form two O—H...O hydrogen bonds to carboxylate O atoms. In combination, these hydrogen bonds generate a three-dimensional network and two weak C—H...π interactions are also observed.

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