scholarly journals N-[Ethyl(2-hydroxyethyl)carbamothioyl]-3-fluorobenzamide

2014 ◽  
Vol 70 (5) ◽  
pp. o570-o570 ◽  
Author(s):  
Nor Wahida. Awang ◽  
Siti Aishah Hasbullah ◽  
Siti Fairus M. Yusoff ◽  
Bohari M. Yamin
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Axis Direction ◽  
Compound C

In the title compound, C12H15FN2O2S, the molecule adopts acisconfiguration of the fluorobenzoyl group with respect to the thiono group about their C—N bond. The dihedral angle between the fluorobenzoyl group and the thiourea N2CS fragment is 69.60 (11)°. An intramolecular N—H...O hydrogen bond occurs. In the crystal, molecules form chains along theb-axis directionviaO—H...S and C—H...O 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].

scholarly journals Methyl (2R)-2-benzamido-2-{[(1R)-2-methoxy-2-oxo-1-phenylethyl]amino}acetate

IUCrData ◽  
2017 ◽  
Vol 2 (8) ◽  
Author(s):  
Oumaima Karai ◽  
Younas Aouine ◽  
Hassane Faraj ◽  
Anouar Alami ◽  
Abdelilah El Hallaoui ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Methyl Acetate ◽  
Molecular Conformation ◽  
Axis Direction ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C19H20N2O5, the dihedral angle between the phenyl rings is 58.85 (8)°, while that between the planes of the methyl acetate groups is 88.30 (8)°. The molecular conformation is also influenced by the presence of an intramolecular N—H...O hydrogen bond. In the crystal, N—H...O hydrogen bonds link the molecules, forming chains propagating along thea-axis direction.

scholarly journals 1-Cyclohexyl-5-(2-hydroxybenzoyl)-3-nitropyridin-2(1H)-one

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
T. Siva Ranjani ◽  
N. Poomathi ◽  
G. Vimala ◽  
Paramasivam T. Perumal ◽  
K. Sakthi Murugesan
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Ring Motif

In the title compound, C18H18N2O5, the cyclohexane ring adopts a chair conformation, and its mean plane is almost normal to the central pyridin-2-one ring with a dihedral angle of 87.94 (8)°. The latter ring is inclined to the 2-hydroxybenzoyl ring by 50.92 (8)°. There is an intramolecular O—H...O hydrogen bond in this unit forming anS(6) ring motif. The NO2group is disordered over two orientations of equal occupancy. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, forming chains propagating along [001]. Inversion-related chains are linked by C—H...π interactions, forming columns along thec-axis direction.

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 3-[2-(5-tert-Butyl-1,2-oxazol-3-yl)hydrazinylidene]chroman-2,4-dione

2013 ◽  
Vol 69 (2) ◽  
pp. o258-o258 ◽  
Author(s):  
Ahmed Jashari ◽  
Emil Popovski ◽  
Bozhana Mikhova ◽  
Rositsa P. Nikolova ◽  
Boris L. Shivachev
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Geometry ◽  
Axis Direction ◽  
Tert Butyl ◽  
Compound C

In the title compound, C16H15N3O4, the dihedral angle between the chromane and isoxazole rings [r.m.s. deviations = 0.042 and 0.007 Å, respectively] is 20.33 (12)°. The molecular geometry is stabilized by an intramolecular N—H...O hydrogen bond. In the crystal, N—H...O hydrogen bonds generate chains along thec-axis direction. The crystal studied was a non-morohedral twin.

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 1-Benzyl-5-methylindoline-2,3-dione

IUCrData ◽  
2016 ◽  
Vol 1 (3) ◽  
Author(s):  
N. Sharmila ◽  
T. V. Sundar ◽  
G. Satish ◽  
P. Venkatesan
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Dione Derivative

The title compound, C16H13NO2, is an isatin (indole-2,3-dione) derivative. The isatin moiety is almost planar with an r.m.s. deviation of 0.022 Å, and its mean plane makes a dihedral angle of 74.19 (12)° with the benzyl ring. In the crystal, molecules are linked by C—H...O hydrogen bonds, formingC(6) chains propagating along thea-axis direction. The chains are linkedviaC—H...π interactions, forming slabs parallel to theabplane. Within the slabs there are weak π–π interactions present involving inversion-related isatin moieties.

scholarly journals (E)-N-{3-[(m-Tolylimino)methyl]pyridin-2-yl}pivalamide

IUCrData ◽  
2017 ◽  
Vol 2 (11) ◽  
Author(s):  
Şehriman Atalay ◽  
Semra Gerçeker ◽  
Seher Meral
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Methyl Groups ◽  
Compound C ◽  
Benzene Rings

In the title compound, C18H21N3O, the dihedral angle between the pyridine and benzene rings is 30.53 (7)° and the C—C=N—C torsion angle is −170.6 (2)°. An intramolecular N—H...N hydrogen bond generates anS(6) ring. In the crystal, very weak C—H...O hydrogen bonds link the molecules intoC(8) [101] chains. Thetert-butyl methyl groups are disordered over two sets of sites in a 0.783 (4):0.217 (4) ratio.

scholarly journals (E)-2-Methyl-6-{[(5-methylpyridin-2-yl)imino]methyl}phenol

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
Md. Azharul Arafath ◽  
Farook Adam ◽  
Mohd. R. Razali
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Zigzag Chain ◽  
Aromatic Rings ◽  
Methyl Group ◽  
Compound C

In the title compound, C14H14N2O, the dihedral angle between the aromatic rings is 5.54 (9)°. The conformation is reinforced by an intramolecular O—H...N hydrogen bond, which closes anS(6) ring. The pyridine N atom and methyl group lie to opposite sides of the molecule. In the crystal, the molecules are linked into a zigzag chain propagating in [0-11] by weak C—H...O hydrogen bonds.

scholarly journals 9-(1H-Benzo[d]imidazol-2-yl)-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
Gerardo García González ◽  
M. V. Basavanag Unnamatla
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Benzimidazole Derivative ◽  
Axis Direction ◽  
Compound C ◽  
The Mean

The title compound, C19H19N3, is a 2-heteroaryl benzimidazole derivative obtained through a straightforward and efficient protocol starting from julolidine-9-carbaldehyde and 1,2-phenylendiamine. The mean planes of the heterocyclic moieties in the molecule, benzimidazole and julolidine, form a dihedral angle of 40.9 (1)°. In the crystal, N—H...N hydrogen bonds link the imidazole rings, forming chains along the c-axis direction.

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