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 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 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.

scholarly journals 5-Fluoro-2-(2-fluorophenyl)-3-methylsulfinyl-1-benzofuran

2014 ◽  
Vol 70 (7) ◽  
pp. o829-o829
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C15H10F2O2S, the dihedral angle between the plane of the benzofuran ring system (r.m.s. deviation = 0.015 Å) and that of the 2-fluorophenyl ring is 28.53 (6)°. In the crystal, molecules are linked by C—H...O and C—H...F hydrogen bonds, and by π–π interactions between the furan and benzene rings of neighbouring molecules [centroid–centroid distance = 3.625 (2) Å], forming a three-dimensional network.

scholarly journals Crystal structure of oxadiargyl

2015 ◽  
Vol 71 (7) ◽  
pp. o494-o494 ◽  
Author(s):  
Gihaeng Kang ◽  
Jineun Kim ◽  
Hyunjin Park ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Axis Direction ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Short Contacts

In the title compound {systematic name: 5-tert-butyl-3-[2,4-dichloro-5-(prop-2-ynyloxy)phenyl]-1,3,4-oxadiazol-2(3H)-one}, C15H14Cl2N2O3, which is an oxadiazolone herbicide, the dihedral angle between the planes of the oxadiazolone and benzene rings is 65.84 (6)°. In the crystal, weak intermolecular Cl...Cl [3.3600 (7) Å] short contacts link adjacent molecules, forming chains along theb-axis direction. These chains are linked by C—H...O, C—H...N and C—H...Cl hydrogen bonds, generating a three-dimensional network. Weak C—H...π interactions are also present.

scholarly journals Crystal structure of 1-(2-chloroacetyl)-2,6-bis(4-fluorophenyl)-3,3-dimethylpiperidin-4-one

2014 ◽  
Vol 70 (10) ◽  
pp. 262-264 ◽  
Author(s):  
S. Jothivel ◽  
Jibon Kotoky ◽  
S. Kabilan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Piperidine Ring ◽  
Boat Conformation ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Title Molecule

In the title molecule, C21H20ClF2NO2, the piperidine ring adopts a slightly distorted boat conformation. The two benzene rings form a dihedral angle of 87.43 (1)°. A weak intramolecular C—H...π interaction is observed. In the crystal, weak C—H...O hydrogen bonds and weak C—H...π interactions connect the molecules, forming a three-dimensional network.

scholarly journals Crystal structure of 5-[(4-carboxybenzyl)oxy]isophthalic acid

2016 ◽  
Vol 72 (8) ◽  
pp. 1219-1222
Author(s):  
Md. Serajul Haque Faizi ◽  
Musheer Ahmad ◽  
Akram Ali ◽  
Vadim A. Potaskalov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Molecular Shape ◽  
Isophthalic Acid ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

The molecular shape of the title compound, C16H12O7, is bent around the central CH2—O bond. The two benzene rings are almost perpendicular to one another, making a dihedral angle of 87.78 (7)°. In the crystal, each molecule is linked to three others by three pairs of O—H...O hydrogen bonds, forming undulating sheets parallel to thebcplane and enclosingR22(8) ring motifs. The sheets are linked by C—H...O hydrogen bonds and C—H...π interactions, forming a three-dimensional network.

scholarly journals (E)-N′-(4-Isopropylbenzylidene)isonicotinohydrazide monohydrate

2012 ◽  
Vol 68 (4) ◽  
pp. o1002-o1002 ◽  
Author(s):  
Mashooq A. Bhat ◽  
Hatem A. Abdel-Aziz ◽  
Hazem A. Ghabbour ◽  
Madhukar Hemamalini ◽  
Hoong-Kun Fun
Keyword(s):  
Double Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

In the title compound, C16H17N3O·H2O, the isonicotinohydrazide molecule adopts anEconformation about the central C=N double bond. The dihedral angle between the pyridine and the benzene rings is 54.56 (15)°. In the crystal, molecules are connectedviaN—H...O, O—H...N and O—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals Pyrimethaminium 2-{[4-(trifluoromethyl)phenyl]sulfanyl}benzoate dimethyl sulfoxide monosolvate

2014 ◽  
Vol 70 (6) ◽  
pp. o683-o684 ◽  
Author(s):  
Thammarse S. Yamuna ◽  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
H.S. Yathirajan
Keyword(s):  
Hydrogen Bonds ◽  
Dimethyl Sulfoxide ◽  
Dihedral Angle ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Graph Set ◽  
Molecular Salt

In the cation of the title solvated molecular salt, C12H14ClN4+·C14H8F3O2S−·C2H6OS [systematic name of the cation: 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium], the dihedral angle between the planes of the pyrimidinium and 4-chlorophenyl rings is 77.2 (5)°. In the anion, the planes of the benzene rings are twisted with respect to each other by 71.5 (5)°. Disorder was modelled for the dimethyl sulfoxide solvent molecule over two set of sites in a 0.7487 (13):0.2513 (13) ratio. In the crystal, the cations are linked by inversion-generated pairs of N—H...N hydrogen bonds, with anR22(8) graph-set motif. The cation donates two N—H...O hydrogen bonds to the anion, also generating anR22(8) loop. These interactions, along with cation–solvent N—H...O hydrogen bonds, and cation–anion C—H...F, solvent–anion C—H...O and C—H...F interactions, result in a three-dimensional network.

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 2,6-Dichloro-9-(2′,3′,5′-tri-O-acetyl-β-D-ribofuranosyl)-9H-purine

2014 ◽  
Vol 70 (2) ◽  
pp. o108-o109 ◽  
Author(s):  
Irina Novosjolova ◽  
Dmitrijs Stepanovs ◽  
Ērika Bizdēna ◽  
Anatoly Mishnev ◽  
Māris Turks
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Synthetic Analog ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Dimensional Network ◽  
Planar Part ◽  
The Mean

The title synthetic analog of purine nucleosides, C16H16Cl2N4O7, has its acetylated β-furanose ring in a 3′β-envelope conformation, with the corresponding C atom deviating by 0.602 (5) Å from the rest of the ring. The planar part of the furanose ring forms a dihedral angle of 65.0 (1)° with the mean plane of the purine bicycle. In the crystal, molecules form a three-dimensional network through multiple C—H...O and C—H...N hydrogen bonds and C—H...π interactions.

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