2-Ethyl-1-[5-(4-methylphenyl)pyrazol-3-yl]-3-(thiophene-2-carbonyl)isothiourea: molecular ribbons containing three types of hydrogen-bonded ring

2014 ◽  
Vol 70 (11) ◽  
pp. 1064-1068
Author(s):  
Edison Castro ◽  
Henry Insuasty ◽  
Braulio Insuasty ◽  
Justo Cobo ◽  
Christopher Glidewell
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Microwave Irradiation ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Solvent Free ◽  
Compound C ◽  
Solvent Free Conditions ◽  
Hydrogen Bonded

The title compound, C18H18N4OS2, was prepared by reaction ofS,S-diethyl 2-thenoylimidodithiocarbonate with 5-amino-3-(4-methylphenyl)-1H-pyrazole using microwave irradiation under solvent-free conditions. In the molecule, the thiophene unit is disordered over two sets of atomic sites, with occupancies of 0.814 (4) and 0.186 (4), and the bonded distances provide evidence for polarization in the acylthiourea fragment and for aromatic type delocalization in the pyrazole ring. An intramolecular N—H...O hydrogen bond is present, forming anS(6) motif, and molecules are linked by N—H...O and N—H...N hydrogen bonds to form a ribbon in which centrosymmetricR22(4) rings, built from N—H...O hydrogen bonds and flanked by inversion-related pairs ofS(6) rings, alternate with centrosymmetricR22(6) rings built from N—H...N hydrogen bonds.

scholarly journals Crystal structure of (E)-4-{[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl}-3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole

2014 ◽  
Vol 70 (12) ◽  
pp. o1246-o1247 ◽  
Author(s):  
Joel T. Mague ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Hussein M. S. El-Kashef ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Extended Conformation ◽  
Compound C ◽  
Benzene Rings

The title compound, C21H17N7O4, is in an `extended' conformation aided by an intramolecular N—H...O hydrogen bond. The pyrazole ring makes dihedral angles of 29.17 (6), 65.47 (4) and 9.91 (7)°, respectively, with the phenyl, pyrrole and benzene rings. In the crystal, molecules are connected by pairs of N—H...O and C—H...O hydrogen bonds, forming inversion dimers which associate into ribbons running along thebaxis through complementary C—H...O interactions.

scholarly journals 5-Methyl-1,3-diphenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-carboxamide

2013 ◽  
Vol 69 (12) ◽  
pp. o1736-o1736
Author(s):  
Chandra ◽  
S. S. Mahesh ◽  
N. Srikantamurthy ◽  
K. B. Umesha ◽  
K. Palani ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Group ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Thiadiazole Ring ◽  
Dimer Linkage

The asymmetric unit of the title compound C25H19N5OS, contains two molecules,AandB. In moleculeA, the dihedral angles between the pyrazole ring and the C-bound phenyl group, the N-bound phenyl group and the thiadiazole ring are 32.30 (14), 52.25 (14) and 34.94 (12)°, respectively. The corresponding angles in moleculeBare 33.32 (14), 50.67 (15), and 70.30 (12)°, respectively. In the crystal, theAandBmolecules are linked by pairs of N—H...N hydrogen bonds, generatingR22(8) loops. This dimer linkage is reinforced by two C—H...O hydrogen bonds and one C—H...N hydrogen bond.

2-Amino-5,6,7,8-tetrahydro-4-p-tolylnaphthalene-1,3-dicarbonitrile

2006 ◽  
Vol 62 (7) ◽  
pp. o3004-o3006 ◽  
Author(s):  
Liang-Ce Rong ◽  
Xiao-Yue Li ◽  
Hai-Ying Wang ◽  
Chang-Sheng Yao ◽  
Da-Qing Shi
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Solvent Free ◽  
Minor Components ◽  
Conformational Disorder ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Solvent Free Conditions

The title compound, C19H17N3, was synthesized by the reaction of 4-methylbenzaldehyde and cyclohexane with malononitrile under solvent-free conditions at 293 K. Conformational disorder is observed in the cyclohexene ring and both the major and minor components adopt half-chair conformations. N—H...N hydrogen bonds generate a centrosymmetric R 2 2(12) dimer.

scholarly journals (E)-1-[(5-Chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-phenylhydrazine: sheets built from π-stacked hydrogen-bonded chains

2014 ◽  
Vol 70 (2) ◽  
pp. 216-219
Author(s):  
Jorge Trilleras ◽  
Michael Utria ◽  
Justo Cobo ◽  
Christopher Glidewell
Keyword(s):  
Hydrogen Bond ◽  
Nucleophilic Substitution ◽  
Title Compound ◽  
Phenyl Group ◽  
Pyrazole Ring ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Alternative Routes ◽  
Hydrogen Bonded

The reaction between 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde and phenylhydrazine proceedsviacondensation to provide the title compound, C17H15ClN4, (I), rather thanviathe alternative routes of simple nucleophilic substitution or cyclocondensation. With the exception of the phenyl group bonded directly to the pyrazole ring, the non-H atoms of (I) are nearly coplanar, with an r.m.s. deviation of 0.058 Å. The molecules are linked intoC(7) chains by a single N—H...N hydrogen bond, and the chains are linked by π–π stacking interactions to form sheets.

scholarly journals [1-(4-Chlorophenyl)-5-hydroxy-3-phenyl-1H-pyrazol-4-yl](thiophen-2-yl)methanone

2012 ◽  
Vol 68 (6) ◽  
pp. o1639-o1639 ◽  
Author(s):  
Gui-Ming Deng ◽  
He-Ming Zhang ◽  
Lin-Qi Ou-Yang ◽  
Qiao-Zhen Tong ◽  
Shan Li
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Compound C ◽  
Graph Set

In the title compound, C20H13ClN2O2S, the chlorophenyl, phenyl and thienoyl rings are oriented at dihedral angles 17.84 (7), 53.13 (8) and 34.03 (8)°, respectively, to the central pyrazole ring. An intramolecular O—H...O hydrogen bond occurs. In the crystal, pairs of bifurcated O—H...O hydrogen bonds link molecules into inversion dimers with R 2 2(12) graph-set motifs.

scholarly journals 4-Chloroanilinium 3-carboxyprop-2-enoate

2012 ◽  
Vol 68 (4) ◽  
pp. o959-o960 ◽  
Author(s):  
R. Anitha ◽  
S. Athimoolam ◽  
S. Asath Bahadur ◽  
M. Gunasekaran
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Amine Group ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Bond Forming ◽  
Compound C ◽  
Hydrogen Bonded

In the title compound, C6H7ClN+·C4H3O4−, the cations and anions lie on mirror planes and hence only half of the molecules are present in the asymmeric unit. The 4-chloroanilinium cation and hydrogen maleate anion in the asymmetric unit are each planar and are oriented at an angle of 15.6 (1)° to one another and perpendicular to thebaxis. A characterestic intramolecular O—H...O hydrogen bond, forming an S(7) motif, is observed in the maleate anion. In the crystal, the cations and anions are linked by N—H...O hydrogen bonds, forming layers in theabplane. The aromatic rings of the cations are sandwiched between hydrogen-bonded chains and rings formed through the amine group of the cation and maleate anions, leading to alternate hydrophobic (z= 0 or 1) and hydrophilic layers (z= 1/2) along thecaxis.

scholarly journals 4-Hydroxy-3-methoxybenzaldehyde 4-ethylthiosemicarbazone

2014 ◽  
Vol 70 (8) ◽  
pp. o868-o868 ◽  
Author(s):  
Adriano Bof de Oliveira ◽  
Johannes Beck ◽  
Jörg Daniels ◽  
Bárbara Regina Santos Feitosa
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Torsion Angles ◽  
Ethyl Group ◽  
Compound C ◽  
Hydrogen Bonded

In the crystal structure of the title compound, C11H15N3O2S, the C—N—N—C and C—N—C—C torsion angles involving the benzene ring and ethyl group are 11.91 (15) and 99.4 (2)°, respectively. An intramolecular N—H...N hydrogen bond is observed. In the crystal, molecules are linkedviaN—H...O and N—H...S hydrogen bonds into a three-dimensional hydrogen bonded network. Finally, the molecules show a herringbone arrangement when viewed along theaaxis.

Methyclothiazide: a hydrogen-bonded layer structure

2006 ◽  
Vol 62 (7) ◽  
pp. o3009-o3010 ◽  
Author(s):  
Hua Zhou ◽  
Ning-Hai Hu ◽  
Zhi-Gang Li ◽  
Yan-Li Dou ◽  
Jing-Wei Xu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Layer Structure ◽  
Two Dimensional ◽  
Compound C ◽  
Sheet Structure ◽  
Hydrogen Bonded

In the title compound, C9H11Cl2N3O4S2, systematic name 6-chloro-3-chloromethyl-3,4-dihydro-2-methyl-7-sulfamoyl-1,2,4-benzothiadiazine 1,1-dioxide, three kinds of N—H...O hydrogen bond generate a sheet structure. The combination of four N—H...O hydrogen bonds yields an R 4 4(26) ring, with adjacent rings linked into two-dimensional layers parallel to the (001) plane. Pairs of adjacent planes are further connected by N—H...O hydrogen bonds.

6,9-Dibromo-2a,10b-diphenyl-2a,5,10,10b-tetrahydro-2H,3H-2,3,4a,10a-tetraazabenzo[g]cyclopenta[cd]azulene-1,4-dione monohydrate

2006 ◽  
Vol 62 (5) ◽  
pp. o1754-o1755
Author(s):  
Neng-Fang She ◽  
Sheng-Li Hu ◽  
Hui-Zhen Guo ◽  
An-Xin Wu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Hydrogen Bond Donor ◽  
Hydrogen Bond Acceptor ◽  
Compound C ◽  
Bifurcated Hydrogen Bond

The title compound, C24H18Br2N4O2·H2O, forms a supramolecular structure via N—H...O, O—H...O and C—H...O hydrogen bonds. In the crystal structure, the water molecule serves as a bifurcated hydrogen-bond acceptor and as a hydrogen-bond donor.

scholarly journals 6-Amino-3-methyl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

2014 ◽  
Vol 70 (8) ◽  
pp. o875-o876 ◽  
Author(s):  
Naresh Sharma ◽  
Goutam Brahmachari ◽  
Bubun Banerjee ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Ring System ◽  
Boat Conformation ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

In the title compound, C17H18N4O4, the dihedral angle between the benzene ring and 2,4-dihydropyrano[2,3-c]pyrazole ring system is 89.41 (7)°. The pyran moiety adopts a strongly flattened boat conformation. In the crystal, molecules are linked by N—H...N, N—H...O, C—H...N and C—H...O hydrogen bonds into an infinite two-dimensional network parallel to (110). There are π–π interactions between the pyrazole rings in neighbouring layers [centroid–centroid distance = 3.621 (1) Å].

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