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 4-Nitroanilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate

2013 ◽  
Vol 69 (11) ◽  
pp. o1609-o1609
Author(s):  
P. K. Sivakumar ◽  
M. Krishna Kumar ◽  
G. Chakkaravarthi ◽  
R. Mohan Kumar ◽  
R. Kanagadurai
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Carboxyl Group ◽  
Hydrated Salt ◽  
Dimensional Network ◽  
Hydroxy Groups ◽  
Ring Motif

In the title hydrated salt, C6H7N2O2+·C7H5O6S−·H2O, the benzene ring of the cation makes a dihedral angle of 1.32 (19)° with the attached nitro group. In the anion, an intramolecular O—H...O hydrogen bond with anS(6) ring motif is formed between the carboxyl and hydroxy groups; the dihedral angle between the carboxyl group and the benzene ring is 8.76 (8)°. The crystal structure exhibits intermolecular N—H...O, O—H...O, C—H...O, and π–π [centroid–centroid distances = 3.6634 (9) and 3.7426 (9) Å] interactions to form a three-dimensional network.

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 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.

scholarly journals Crystal structure of 4-hydroxy-3-methoxybenzaldehyde 4-methylthiosemicarbazone methanol monosolvate

2015 ◽  
Vol 71 (5) ◽  
pp. o313-o314
Author(s):  
Adriano Bof de Oliveira ◽  
Johannes Beck ◽  
Christian Landvogt ◽  
Bárbara Regina Santos Feitosa
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Maximum Deviation ◽  
Aromatic Rings ◽  
Dimensional Network ◽  
The Mean

In the title solvate, C15H15N3O2S·CH3OH, the thiosemicarbazone molecule is approximately planar; the maximum deviation from the mean plane is 0.4659 (14) Å and the dihedral angle between the aromatic rings is 9.83 (8)°. This conformation is supported by an intramolecular N—H...N hydrogen bond. In the crystal, the thiosemicarbazone molecules are linked into dimers by pairs of N—H...S hydrogen bonds, thereby generatingR22(8) loops. The methanol solvent molecule bonds to the thiosemicarbazone molecule through a bifurcated O—H...(O,O) hydrogen bond and also accepts an O—H...O link from the thiosemicarbazone molecule. Together, these links generate a three-dimensional network.

scholarly journals Crystal structure of 1-methyl-2-methylamino-3-nitro-1H-chromeno[2,3-b]pyridin-5(10aH)-one

2015 ◽  
Vol 71 (11) ◽  
pp. o824-o825
Author(s):  
Rajamani Raja ◽  
Nataraj Poomathi ◽  
Paramasivam T. Perumal ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Pyran Ring ◽  
Compound C ◽  
Dimensional Network

In the title compound, C14H13N3O4, the pyran ring adopts an envelope conformation with the methine C atom as the flap. The dihedral angle between the benzene and hydropyridine rings is 29.33 (3)°. The methylamine C atom deviates from the plane of its attached ring by 0.380 (5) Å and an intramolecular N—H...O hydrogen bond closes anS(6) ring. In the crystal, weak C—H...O hydrogen bonds and aromatic π–π stacking interactions [centroid–centroid distances vary from 3.6529 (10) to 3.6872 (10) Å] link the molecules, generating a three-dimensional network.

scholarly journals Crystal structure of 2-(1H-imidazol-4-yl)ethanaminium chloride

2015 ◽  
Vol 71 (5) ◽  
pp. o301-o302 ◽  
Author(s):  
Imene Belfilali ◽  
Siham Yebdri ◽  
Samira Louhibi ◽  
Leila Boukli-hacene ◽  
Thierry Roisnel
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Three Dimensional ◽  
Amino Group ◽  
Two Dimensional ◽  
Dimensional Network ◽  
Terminal Amino ◽  
Molecular Salt

The title molecular salt, C5H10N3+·Cl−, was obtained as by-product in the attempted synthesis of a histamine derivative. The terminal amino group of the starting material is protonated. The Cimidazole—C—C—N(H3)+group in the cation is in ananticonformation with a torsion angle of 176.22 (10)°. In the crystal, cations and anions are linkedviaN—H...N and N—H—Cl hydrogen bonds, forming a two-dimensional network parallel to (10-1). A single weak C—H...Cl hydrogen bond completes a three-dimensional network.

scholarly journals Crystal structure of (E)-N′-(3,4-difluorobenzylidene)-4-methylbenzenesulfonohydrazide

2015 ◽  
Vol 71 (10) ◽  
pp. o761-o761
Author(s):  
Yeming Wang ◽  
Hong Yan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Translational Symmetry ◽  
Aromatic Rings ◽  
Compound C ◽  
Dimensional Network

In the title compound, C14H12F2N2O2S, the dihedral angle between the aromatic rings is 70.23 (8)° and the S—N—N=C torsion angle is 172.11 (11)°. In the crystal, N—H...O hydrogen bonds link the molecules into [100]C(4) chains, with adjacent molecules in the chain related by translational symmetry. The chains are linked by weak C—H...F and C—H...O interactions, thereby forming a three-dimensional network.

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 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 (Z)-3-(1-Chloroprop-1-enyl)-2-methyl-1-phenylsulfonyl-1H-indole

2013 ◽  
Vol 69 (12) ◽  
pp. o1781-o1781 ◽  
Author(s):  
M. Umadevi ◽  
V. Saravanan ◽  
R. Yamuna ◽  
A. K. Mohanakrishnan ◽  
G. Chakkaravarthi
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Indole Ring ◽  
Compound C ◽  
Dimensional Network ◽  
A Chain

In the title compound, C18H16ClNO2S, the indole ring system forms a dihedral angle of 75.07 (8)° with the phenyl ring. The molecular structure is stabilized by a weak intramolecular C—H...O hydrogen bond. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming a chain along [10-1]. C—H...π interactions are also observed, leading to a three-dimensional network.

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