scholarly journals Crystal structure of 2-(5-bromo-2-hydroxybenzylidene)-2,3-dihydro-1H-indene-1,3-dione

2015 ◽  
Vol 71 (5) ◽  
pp. o324-o325
Author(s):  
Joel T. Mague ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Antar A. Abdelhamid ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Molecular Conformation ◽  
Membered Ring ◽  
Centroid Distance ◽  
Title Molecule ◽  
Adjacent Molecule

The title molecule, C16H9BrO3, deviates slightly from planarity. The benzene ring makes a dihedral angle of 1.02 (9)° with the plane defined by the five-membered ring of the indandione moiety. The latter exhibits a minute twist indicated by the dihedral angle of 0.47 (9)° between the planes of the five- and six-membered rings. An intramolecular C—H...O hydrogen bond between the attached benzene ring with one of the indandione carbonyl O atoms stabilizes the molecular conformation. In the crystal, the molecules form dimers across centres of inversionviapairwise O—H...O hydrogen bonds. The dimers form stacks running parallel to [010] and interact through π–π interactions between the five-membered ring of one molecule and the six-membered rings of the indandione moiety of an adjacent molecule [centroid-to-centroid distance = 3.5454 (10) Å].

scholarly journals [1-(2,5-Dichloroanilino)-5-methyl-1H-1,2,3-triazol-4-yl]methanol

IUCrData ◽  
2016 ◽  
Vol 1 (1) ◽  
Author(s):  
Anna C. Cunha ◽  
Alessandro K. Jordão ◽  
Maria C. B. V. de Souza ◽  
Vitor F. Ferreira ◽  
Maria C. B. de Almeida ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Hydroxy Group ◽  
Title Compound ◽  
Membered Ring ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C10H10Cl2N4O, the hydroxy group and benzene ring are disposed to opposite sides of the central 1,2,3-triazolyl ring. The dihedral angle between the five- and six-membered rings is 87.51 (12)°, and the C—O bond of the hydroxy group lies almost normal to the plane of the 5-membered ring [N—C—C—O = −93.2 (2)°]. An intramolecular amino-N—H...Cl hydrogen bond is noted. In the extended structure, supramolecular layers in theabplane are formedviahydroxy-O—H...N(ring) and amine-N—H...O(hydroxy) hydrogen bonds. The layers are connected along thecaxis by π–π contacts between benzene rings [inter-centroid distance = 3.7789 (13) Å] and by C—Cl...π interactions.

scholarly journals Crystal structure of 1-[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]pyrrolidinium 2-amino-5-chlorobenzoate

2015 ◽  
Vol 71 (8) ◽  
pp. o584-o585
Author(s):  
Yunli Li ◽  
Zhanjun Li ◽  
Yanjie Hu ◽  
Wen Li
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Membered Ring ◽  
Equatorial Orientation ◽  
Carboxylate Group ◽  
Molecular Salt

In the cation of the title molecular salt, C13H20NO+·C7H5ClNO2−, the five-membered ring adopts a twisted conformation about one of the C—N bonds. The exocyclic N—C bond has an equatorial orientation. The dihedral angle between the five-membered ring (all atoms) and the benzene ring is 76.56 (19)°. In the anion, the dihedral angle between the carboxylate group and the benzene ring is 18.57 (14)°, and an intramolecular N—H...O hydrogen bond closes anS(6) ring. In the crystal, the components are linked by O—H...O and N—H...O hydrogen bonds, generating [100] chains.

scholarly journals Crystal structure of (Z)-2-hydroxy-N′-(4-oxo-1,3-thiazolidin-2-ylidene)benzohydrazide

2014 ◽  
Vol 70 (11) ◽  
pp. o1167-o1167 ◽  
Author(s):  
Ya Zhang ◽  
Peijuan Li ◽  
Xin Fan ◽  
Longfei Jin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Membered Ring ◽  
Compound C ◽  
Planar Conformation

In the title compound, C10H9N3O3S, the five-membered ring adopts a slightly twisted conformation about the Cm—S (m = methylene) bond. The dihedral angle between this ring and the benzene ring is 7.99 (9)°. A bifurcated intramolecular N—H...(O,S) hydrogen bond helps to establish the near planar conformation of the molecule. In the crystal, molecules are linked by N—H...O and O—H...O hydrogen bonds to generate (001) sheets.

scholarly journals Ethyl 2-amino-4-(3-chlorophenyl)-5,10-dioxo-5,10-dihydro-4H-benzo[g]chromene-3-carboxylate

2009 ◽  
Vol 65 (6) ◽  
pp. o1324-o1324
Author(s):  
Xiao Hu ◽  
Song Lei ◽  
Chang-Sheng Yao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Crystal Packing ◽  
Ring System ◽  
Membered Ring ◽  
Fused Ring ◽  
Title Molecule ◽  
Fused Ring System

The title molecule, C22H16ClNO5, was obtained by the reaction of (E)-ethyl 3-(3-chlorophenyl)-2-cyanoacrylate and 2-hydroxynaphthalene-1,4-dione catalysed by triethylamine in ethanol. In the crystal structure, the chlorobenzene ring makes a dihedral angle of 88.63 (4)° with the fused ring system. The six-membered ring formed by an intramolecular N—H...O hydrogen bond is almost planar. The crystal packing is stabilized by N—H...O hydrogen bonds.

scholarly journals Crystal structure ofN-[(2-hydroxynaphthalen-1-yl)(4-methylphenyl)methyl]acetamide

2015 ◽  
Vol 71 (4) ◽  
pp. o235-o235 ◽  
Author(s):  
Sharanbasappa Khanapure ◽  
Gajanan Rashinkar ◽  
Tarulata Chhowala ◽  
Sumati Anthal ◽  
Rajni Kant
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Ring System ◽  
Naphthalene Ring ◽  
Π Interactions ◽  
Title Molecule

In the title molecule, C20H19NO2, the naphthalene ring system subtends a dihedral angle of 82.50 (7)° with the benzene ring and an intramolecular N—H...O hydrogen bond closes anS(6) ring. In the crystal, molecules are linked by O—H...O hydrogen bonds, which generateC(8) chains propagating in the [010] direction. The crystal structure also features weak π–π interactions [centroid–centroid separation = 3.7246 (10) Å].

scholarly journals (E)-2-(4-Benzyloxy-2-hydroxybenzylidene)-N-methylhydrazinecarbothioamide

2014 ◽  
Vol 70 (2) ◽  
pp. o112-o113
Author(s):  
N. R. Sajitha ◽  
M. Sithambaresan ◽  
M. R. Prathapachandra Kurup
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Compound C ◽  
Benzene Rings

The molecule of the title compound, C16H17N3O2S, adopts anEconformation with respect to the azomethine C=N bond. The hydrazinecarbothioamide fragment is close to planar, with a largest deviation from the least-squares plane of 0.079 (2) Å for the hydrazide N atom. This fragment forms a dihedral angle of 9.43 (9)° with the central benzene ring. The benzene rings are inclined to one another by 67.55 (12)°. The molecular conformation is stabilized by an intramolecular O—H...N hydrogen bond involving the azomethine N atom. In the crystal, molecules are linked through weak N—H...S and N—H...O hydrogen bonds into double ribbons along [010]. The crystal packing also features C—H...π interactions.

scholarly journals (2Z)-2-{[N-(2-Formylphenyl)-4-methylbenzenesulfonamido]methyl}-3-(4-methylphenyl)prop-2-enenitrile

2012 ◽  
Vol 68 (4) ◽  
pp. o1084-o1084
Author(s):  
D. Kannan ◽  
M. Bakthadoss ◽  
R. Madhanraj ◽  
S. Murugavel
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Motif

In the title compound, C25H22N2O3S, the sulfonyl-bound benzene ring forms dihedral angles of 36.8 (2) and 81.4 (2)°, respectively, with the formylbenzene and methylbenzene rings. The molecular conformation is stabilized by an intramolecular C—H...O hydrogen bond, which generates anS(5) ring motif. The crystal packing is stabilized by C—H...O hydrogen bonds, which generateC(11) chains along thebaxis. The crystal packing is further stabilized by π–π interactions [centroid–centroid distance = 3.927 (2) Å].

scholarly journals Crystal structure of 6-amino-4-(3-bromo-4-methoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile dimethyl sulfoxide monosolvate

2015 ◽  
Vol 71 (7) ◽  
pp. o453-o454 ◽  
Author(s):  
Sammer Yousuf ◽  
Huma Bano ◽  
Munira Taj Muhammad ◽  
Khalid Mohammed Khan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dimethyl Sulfoxide ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Pyrazole Ring ◽  
Ring System ◽  
The Mean

In the pyrazole molecule of the title solvate, C15H13BrN4O2·C2H6OS, the dihedral angle between the benzene ring and the mean plane of the dihydropyrano[2,3-c]pyrazole ring system [r.m.s deviation = 0.031 (2) Å] is 86.71 (14)°. In the crystal, the pyrazole molecules are linked by N—H...N hydrogen bonds, forming a layer parallel to (10-1). The pyrazole and dimethyl sulfoxide molecules are connected by an N—H...O hydrogen bond.

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 (E)-1-(4-Fluoro-2-hydroxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one

IUCrData ◽  
2020 ◽  
Vol 5 (1) ◽  
Author(s):  
Miri Yoo ◽  
Dongsoo Koh
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Hydroxy Group ◽  
Benzene Rings ◽  
Title Molecule

In the title molecule, C18H17FO5, the conformation about the C=C bond of the central enone group is trans. The dihedral angle between the benzene rings is 13.08 (3)°. The hydroxy group attached to the benzene ring is involved in an intramolecular O—H...O hydrogen bond. In the crystal, weak C—H...O hydrogen bonds link the molecules into chains along [001].

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