scholarly journals 1-{2-[(4-Hydroxy-3-methoxybenzylidene)amino]ethyl}-3-methylimidazolium hexafluorophosphate

2009 ◽  
Vol 65 (6) ◽  
pp. o1427-o1427 ◽  
Author(s):  
Bin Li ◽  
Yi-Qun Li ◽  
Jie Liu ◽  
Wen-Jie Zheng
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Base Salt ◽  
Ring Motif

In the title Schiff base salt, C14H18N3O2+·PF6−, the dihedral angle between the planes of the aromatic and imidazole rings is 24.84 (8)°. The molecular structure exhibits an intramolecular O—H...O hydrogen bond, which generates anS(5) ring motif. In the crystal structure, the cations and anions are connectedviaO—H...N and O—H...F hydrogen bonds, resulting in a trifurcated interaction for the phenolic H atom.

scholarly journals Crystal structure of (E)-5-diethylamino-2-({[4-(dimethylamino)phenyl]imino}methyl)phenol

2015 ◽  
Vol 71 (7) ◽  
pp. o503-o503 ◽  
Author(s):  
C. Vidya Rani ◽  
G. Chakkaravarthi ◽  
G. Rajagopal
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Schiff Base ◽  
Dihedral Angle ◽  
Aromatic Rings ◽  
Compound C ◽  
Schiff Base Compound ◽  
Ring Motif ◽  
Base Compound

The title Schiff base compound, C19H25N3O, is approximately planar, with a dihedral angle of 9.03 (13)° between the planes of the aromatic rings, and has anEconformation about the N=C bond. The molecular structure is stabilized by an intramolecular O—H...N hydrogen bond, with anS(6) ring motif. In the crystal, molecules are linked by C—H...π interactions, forming sheets parallel to thebcplane.

scholarly journals Crystal structure of 1-benzyl-4-formyl-1H-pyrrole-3-carboxamide

2016 ◽  
Vol 72 (2) ◽  
pp. 133-135
Author(s):  
Qi-Di Zhong ◽  
Sheng-Quan Hu ◽  
Hong Yan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Bond Forming ◽  
Compound C ◽  
The Mean ◽  
Ring Motif

In the title compound, C13H12N2O2(I), the mean planes of the pyrrole and benzyl rings are approximately perpendicular, forming a dihedral angle of 87.07 (4) °. There is an intramolecular N—H...O hydrogen bond forming an S(7) ring motif. In the crystal, molecules are linkedviaa pair of N—H...O hydrogen bonds forming inversion dimers. C—H...O hydrogen bonds link the dimers into chains along direction [10-1]. The chains are further linked by weak C—H...π interactions forming layers parallel to theacplane.

scholarly journals Crystal structure of bis(thiocyanato-κS)bis(thiourea-κS)mercury(II)

2015 ◽  
Vol 71 (2) ◽  
pp. m28-m29
Author(s):  
A. Baskaran ◽  
K. Rajarajan ◽  
M. NizamMohideen ◽  
P. Sagayaraj
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Title Complex ◽  
First Report ◽  
Coordinate Geometry ◽  
Ring Motif

In the title complex, [Hg(NCS)2(CH4N2S)2], the HgIIatom is four-coordinated having an irregular four-coordinate geometry composed of four thione S atoms of two thiocyanate groups and two thiourea groups. The S—Hg—S angles are 172.02 (9)° for thetrans-thiocyanate S atoms and 90.14 (5)° for thecis-thiourea S atoms. The molecular structure is stabilized by an intramolecular N—H...S hydrogen bond, which forms anS(6) ring motif. In the crystal, molecules are linked by a number of N—H...N and N—H...S hydrogen bonds, forming a three-dimensional framework. The first report of the crystal structure of this compound appeared in 1966 [Korczynski (1966).Rocz. Chem.40, 547–569] with an extremely highRfactor of 17.2%, and no mention of how the data were collected.

scholarly journals Crystal structure of 2-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl]-N-(o-tolyl)acetamide

2015 ◽  
Vol 71 (10) ◽  
pp. o788-o789
Author(s):  
Dang-Dang Li ◽  
Xin-Wei Shi ◽  
Qiang-Qiang Lu ◽  
Sheng-Kun Li
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Compound C ◽  
Amide Derivative ◽  
Ring Motif

The title compound, C23H35NO2, is an amide derivative of the lactone (+)-sclareolide, and was synthesized from natural sclareol. In the molecular structure, the two six-membered rings (AandB) of the labdane skeleton aretrans-fused, and adopt chair conformations. There is an intramolecular N—H...O hydrogen bond present forming anS(7) ring motif. In the crystal, O—H...O hydrogen bonds link the molecules into helical chains propagating along theb-axis direction. The chains are linkedviaC—H...π interactions, forming a three-dimensional structure.

scholarly journals 6-[(2-Methylphenyl)sulfanyl]-5-propylpyrimidine-2,4(1H,3H)-dione

2014 ◽  
Vol 70 (7) ◽  
pp. o768-o769 ◽  
Author(s):  
Nadia G. Haress ◽  
Hazem A. Ghabbour ◽  
Ali A. El-Emam ◽  
C. S. Chidan Kumar ◽  
Hoong-Kun Fun
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Three Dimensional ◽  
Dione Derivative ◽  
Dimensional Network ◽  
A Chain ◽  
Ring Motif

In the title pyrimidine-2,4-dione derivative, C14H16N2O2S, the dihedral angle between the six-membered rings is 77.81 (10)°. The molecule is twisted about the Cp—S (p = pyrimidine) bond, with a C—S—C—N torsion angle of −59.01 (17)°. An intramolecular C—H...S hydrogen bond generates anS(5) ring motif. In the crystal, bifurcated acceptor N—H...O and C—H...O hydrogen bonds generate inversion-related dimers incorporatingR21(9) andR22(8) loops. These dimers are connected into a chain extending along thea-axis direction by a second pair of inversion-related N—H...O hydrogen bonds, forming anotherR22(8) loop. The crystal structure is further stabilized by weak intermolecular C—H...π interactions, generating a three-dimensional network.

scholarly journals Crystal structure of (E)-2-[(4-hydroxybenzylidene)azaniumyl]benzoate

2014 ◽  
Vol 70 (9) ◽  
pp. o1008-o1008 ◽  
Author(s):  
M. Nawaz Tahir ◽  
Abdul Haleem Khan ◽  
Hazoor Ahmad Shad
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Schiff Base ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Dihedral Angle ◽  
Acid Group ◽  
Aromatic Rings ◽  
Carboxylic Acid Group

The title Schiff base, C14H11NO3, crystallizes as a zwitterion (i.e.proton transfer from the carboxylic acid group to the imine N atom). The dihedral angle between the aromatic rings is 19.59 (6)° and an intramolecular N—H...O hydrogen bond closes anS(6) ring. In the crystal, inversion dimers linked by pairs of O—H...O hydrogen bonds generateR24(24) loops. The dimers are linked by C—H...O interactions, generating (211) sheets.

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 The crystal structure of 6-(4-chlorophenyl)-2-(4-methylbenzyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde

2016 ◽  
Vol 72 (10) ◽  
pp. 1460-1462 ◽  
Author(s):  
A. Sowmya ◽  
G. N. Anil Kumar ◽  
Sujeet Kumar ◽  
Subhas S. Karki
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Π Interactions ◽  
Thiadiazole Derivative ◽  
Ring Motif

In the title imidazo[2,1-b][1,3,4]thiadiazole derivative, C19H14ClN3OS, the 4-methylbenzyl and chlorophenyl rings are inclined to the planar imidazo[2,1-b][1,3,4]thiadiazole moiety (r.m.s. deviation = 0.012 Å) by 64.5 (1) and 3.7 (1)°, respectively. The molecular structure is primarily stabilized by a strong intramolecular C—H...O hydrogen bond, leading to the formation of a pseudo-seven-memberedS(7) ring motif, and a short intramolecular C—H...N contact forming anS(5) ring motif. In the crystal, molecules are linked by pairs of C—H...S hydrogen bonds, forming inversion dimers. The dimers are linked by C—H...O and C—H...π interactions, forming chains propagating along [110].

scholarly journals Methyl 4-(4-bromoanilino)-2′,5-dioxo-5H-spiro[furan-2,3′-indoline]-3-carboxylate

2014 ◽  
Vol 70 (2) ◽  
pp. o210-o211 ◽  
Author(s):  
Rajeswari Gangadharan ◽  
Selvarangam E. Kiruthika ◽  
K. Sethusankar ◽  
P. T. Perumal
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Furan Ring ◽  
Maximum Deviation ◽  
Compound C ◽  
Ring Motif

In the title compound, C19H13BrN2O5, the spiro furan ring is almost planar with a maximum deviation of 0.034 (2) Å. The indole unit and the furan ring are normal to each other, making a dihedral angle of 87.82 (8) °. The molecular structure is stabilized by an intramolecular N—H...O hydrogen bond, which generates anS(6) ring motif. In the crystal, molecules are linkedviapairs of N—H...O hydrogen bonds, forming inversion dimers enclosingR22(8) ring motifs.

scholarly journals Crystal structure of benzimidazolium salicylate

2015 ◽  
Vol 71 (10) ◽  
pp. o794-o795 ◽  
Author(s):  
M. Amudha ◽  
P. Praveen Kumar ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Π Interactions ◽  
Molecular Salt ◽  
Ring Motif

In the anion of the title molecular salt, C7H7N2+·C7H5O3−(systematic name: 1H-benzimidazol-3-ium 2-hydroxybenzoate), there is an intramolecular O—H...O hydrogen bond that generates anS(6) ring motif. The CO2group makes a dihedral angle of 5.33 (15)° with its attached ring. In the crystal, the dihedral angle between the benzimidazolium ring and the anion benzene ring is 75.88 (5)°. Two cations bridge two anionsviatwo pairs of N—H...O hydrogen bonds, enclosing anR44(16) ring motif, forming a four-membered centrosymmetric arrangement. These units are linkedviaC—H...O hydrogen bonds, forming chains propagating along theb-axis direction. The chains are linked by C—H...π and π–π interactions [inter-centroid distances = 3.4156 (7) and 3.8196 (8) Å], forming a three-dimensional structure.

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