scholarly journals 2-[(E)-2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate monohydrate

2013 ◽  
Vol 69 (12) ◽  
pp. o1851-o1852
Author(s):  
Suchada Chantrapromma ◽  
Nawong Boonnak ◽  
Boonwasana Jindawong ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Three Dimensional ◽  
Water Molecules ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings

The title salt crystallized as the monohydrate C15H16NO2+·C6H4BrSO3−·H2O. The cation exists in anEconformation with respect to the ethynyl bond and is essentially planar, with a dihedral angle of 6.52 (14)° between the pyridinium and the benzene rings. The hydroxy and methoxy substituents are coplanar with the benzene ring to which they are attached, with an r.m.s. deviation of 0.0116 (3) Å for the nine non-H atoms [Cmethyl—O—C—C torsion angle = −0.8 (4)°]. In the crystal, the cations and anions are stacked by π–π interactions, with centroid–centroid distances of 3.7818 (19) and 3.9004 (17) Å. The cations, anions and water molecules are linked by O—H...O hydrogen bonds and weak C—H...O interactions, forming a three-dimensional network.

scholarly journals 1-Methyl-4-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyridinium 4-bromobenzenesulfonate monohydrate

2013 ◽  
Vol 69 (11) ◽  
pp. o1623-o1624 ◽  
Author(s):  
Suchada Chantrapromma ◽  
Pumsak Ruanwas ◽  
Boonwasana Jindawong ◽  
Hoong-Kun Fun
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Water Molecules ◽  
Π Interactions ◽  
Hydrated Salt ◽  
Benzene Rings ◽  
Methoxy Substituent

In the title hydrated salt, C15H16NO2+·C6H4BrO3S−·H2O, the cation exists in anEconformation with respect to the ethenyl bond and is almost planar, with a dihedral angle of 2.62 (12)° between the planes of the pyridinium and benzene rings. The methoxy substituent deviates slightly from the plane of its attached benzene ring [Cmethyl—O—C—C torsion angle = −11.6 (6)°]. In the crystal, the cations, anion and water molecules are linked together into chains along [010] by O—H...O hydrogen bonds and weak C—H...O interactions. There is a short Br...O contact [3.029 (2) Å]. The crystal structure also features C—H...π interactions involving the benzene ring of the anion.

scholarly journals Crystal structure of (2E)-1-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

2014 ◽  
Vol 70 (11) ◽  
pp. o1158-o1159 ◽  
Author(s):  
S. Sathya ◽  
D. Reuben Jonathan ◽  
K. Prathebha ◽  
J. Jovita ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Methoxy Group ◽  
Three Dimensional ◽  
Dimensional Network ◽  
Two Component ◽  
Benzene Rings

In the title moleclue, C16H14O4, the dihedral angle between the benzene rings is 16.1 (3)°. The methoxy group is essentially coplanar with the benzene ring to which it is attached, with a C—O—C...;C torsion angle of 5.5 (9)°. In the crystal, molecules are linked by O—H...O and bifurcated O—H...(O,O) hydrogen bonds, forming a three-dimensional network. The structure was refined as a two-component inversion twin.

scholarly journals (E)-4-Bromo-N′-(4-hydroxy-3-methoxybenzylidene)benzohydrazide monohydrate

2012 ◽  
Vol 68 (4) ◽  
pp. o1069-o1070 ◽  
Author(s):  
Jirapa Horkaew ◽  
Suchada Chantrapromma ◽  
Teerasak Anantapong ◽  
Akkharawit Kanjana-Opas ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Methoxy Group ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

In the title compound, C15H13BrN2O3·H2O, the dihedral angle between the two benzene rings is 13.92 (6)°. The methoxy group of the 4-hydroxy-3-methoxyphenyl is almost coplanar with its bound benzene ring, as seen by the Cmethyl—O—C—C torsion angle of −0.35 (16)°. In the crystal, molecules are linked into a three-dimensional network by N—H...O, O—H...N and O—H...O hydrogen bonds and also weak C—H...O interactions. A short C...O contact of 3.0191 (15) Å is also present.

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.

scholarly journals Crystal structure of 1-benzyl-3-methyl-1H-imidazolium hexafluoridophosphate

2014 ◽  
Vol 70 (12) ◽  
pp. o1248-o1249 ◽  
Author(s):  
Patrick C. Hillesheim ◽  
Kent A. Scipione
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Imidazolium Ring ◽  
Adjacent Molecule

In the title salt, C11H13N2+·PF6−, the dihedral angle between the planes of the imidazole and benzene rings is 84.72 (4)°. In the crystal, C—H...F interactions connect the cation and anion pairs into a three-dimensional network. Weak π–π interactions are observed between the imidazolium ring and the aromatic benzene ring of an adjacent molecule with C...C and C...N distances ranging from 3.3714 (16) to 3.4389 (15) Å.

scholarly journals Diaquabis(4-formylbenzoato-κO1)bis(nicotinamide-κN1)zinc

2012 ◽  
Vol 68 (8) ◽  
pp. m1127-m1128 ◽  
Author(s):  
Mustafa Sertçelik ◽  
Nagihan Çaylak Delibaş ◽  
Hacali Necefoğlu ◽  
Tuncer Hökelek
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Water Molecules ◽  
Carboxylate Group ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Square Planar ◽  
Distorted Octahedral ◽  
Benzene Rings

In the title complex, [Zn(C8H5O3)2(C6H6N2O)2(H2O)2], the ZnIIcation is located on an inversion center and is coordinated by two 4-formylbenzoate (FB) anions, two nicotinamide (NA) ligands and two water molecules. The four O atoms in the equatorial plane around the ZnIIcation form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 24.13 (8)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 88.52 (4)°. The coordinating water molecule links with the carboxylate groupviaan O—H...O hydrogen bond. In the crystal, N—H...O and O—H...O hydrogen bonds, and a weak C—H...π interaction link the molecules into a two-dimensional network parallel to (010). These networks are linkedviaC—H...O and π–π interactions between inversion-related benzene rings [centroid–centroid distance = 3.8483 (7) Å], forming a three-dimensional supramolecular structure.

scholarly journals 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoic acid dimethylformamide disolvate

2014 ◽  
Vol 70 (5) ◽  
pp. o534-o535
Author(s):  
Zhen-Zhe Qiu ◽  
Bi Jing ◽  
Qiu-Xia Li ◽  
Ai-Xin Zhu
Keyword(s):  
Hydrogen Bonds ◽  
Dicarboxylic Acid ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Acid Molecule ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Solvent Molecules

In the title solvate, C22H18O6·2C3H7NO, the complete dicarboxylic acid molecule is generated by a crystallographic twofold axis, which bisects the central benzene ring and oneN,N-dimethylformamide solvent molecule. The dihedral angle between the central and pendant benzene rings is 54.53 (5)° while that between the pendant rings is 45.44 (5)°. In the crystal, the acid molecules are linked to the solvent moleculesviaO—H...O and weak C—H...O hydrogen bonds. Further weak C—H...O interactions link adjacent acid molecules into a three-dimensional network.

scholarly journals N′-[(1E)-4-Hydroxy-3-methoxybenzylidene]isonicotinohydrazide monohydrate

IUCrData ◽  
2016 ◽  
Vol 1 (8) ◽  
Author(s):  
K. R. Roopashree ◽  
Bharathkumar Inturi ◽  
Gurubasavaraj V. Pujar ◽  
S. R. Prem Kumar ◽  
H. C. Devarajegowda
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings

In the title hydrate, C14H13N3O3·H2O, the dihedral angle between the pyridine and benzene rings is 2.52 (9)°. Intramolecular O—H...O hydrogen bonds occur. In the crystal, O—H...O, O—H...N, N—H...O and C—H...O hydrogen bonds link the components into a three-dimensional network. π–π interactions are also observed.

scholarly journals 1-Piperonylpiperazinium 4-nitrobenzoate monohydrate

2014 ◽  
Vol 70 (3) ◽  
pp. o270-o271 ◽  
Author(s):  
Channappa N. Kavitha ◽  
Manpreet Kaur ◽  
Brian J. Anderson ◽  
Jerry P. Jasinski ◽  
H. S. Yathirajan
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Chair Conformation ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Hydrated Salt ◽  
Benzene Rings

In the title hydrated salt [systematic name: 1-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium 4-nitrobenzoate monohydrate], C12H17N2O2+·C7H4NO4−·H2O, the piperazinium ring of the cation adopts a slightly distorted chair conformation. The piperonyl and piperazine rings are rotated with respect to each other with an N—C—C—C torsion angle of 45.6 (2)°. In the anion, the nitro group is almost coplanar with the adjacent benzene ring, forming a dihedral angle of only 3.9 (4)°. In the crystal, the cations, anions and water molecules are linked through N—H...O and O—H...O hydrogen bonds into chains along theaaxis. In addition, weaker intermolecular C—H...O interactions are also observed within the chains. The anions form centrosymmetric couples through π-stacking interactions, with an intercentroid distance of 3.681 (4) Å between the benzene rings.

scholarly journals Crystal structure of 1,1′-[selanediylbis(4,1-phenylene)]bis(2-chloroethan-1-one)

2015 ◽  
Vol 71 (12) ◽  
pp. o935-o936 ◽  
Author(s):  
Hazem Bouraoui ◽  
Ali Boudjada ◽  
Noudjoud Hamdouni ◽  
Youcef Mechehoud ◽  
Jean Meinnel
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Torsion Angles ◽  
Axis Direction ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Title Molecule

In the title molecule, C16H12Cl2O2Se, the C—Se—C angle is 100.05 (14)°, with the dihedral angle between the planes of the benzene rings being 69.92 (17)°. The average endocyclic angles (Se—Car—Car; ar = aromatic) facing the Se atom are 120.0 (3) and 119.4 (3)°. The Se atom is essentially coplanar with the benzene rings, with Se—Car—Car—Cartorsion angles of −179.2 (3) and −179.7 (3)°. In the crystal, molecules are linkedviaC—H...O hydrogen bonds forming chains propagating along thea-axis direction. The chains are linkedviaC—H...π interactions, forming a three-dimensional network.

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