scholarly journals 2-[5-(2-Methylphenyl)-3-(2-methylstyryl)-4,5-dihydro-1H-pyrazol-1-yl]-6-(thiophen-2-yl)-4-(trifluoromethyl)pyrimidine chloroform monosolvate

2014 ◽  
Vol 70 (7) ◽  
pp. o789-o790 ◽  
Author(s):  
Alex Fabiani Claro Flores ◽  
Darlene Correia Flores ◽  
Juliano Rosa de Menezes Vicenti ◽  
Patrick Teixeira Campos
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Pyrimidine Ring ◽  
Dihedral Angles ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Benzene Rings

In the crystal structure of the title compound, C28H23F3N4S·CHCl3, the chloroform solvate molecules connect the pyrimidine molecules into chains along [101] through weak C—H...N and C—H...Cl hydrogen-bond interactions. There are further connections between adjacent chains through F...Cl halogen contacts of 3.185 (3) Å, with the –CF3group presenting a significant short F...F interchain distance of 2.712 (4) Å. The five-membered pyrazole ring is approximately planar (r.m.s. deviation = 0.050 Å). The pyrimidine ring makes dihedral angles of 84.15 (8) and 4.56 (8)° with the benzene rings.

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 4-[5-(Furan-2-yl)-3-trifluoromethyl-1H-pyrazol-1-yl]benzenesulfonamide

2012 ◽  
Vol 68 (4) ◽  
pp. o1168-o1169
Author(s):  
Abdullah M. Asiri ◽  
Hassan M. Faidallah ◽  
Khalid A. Alamry ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Hydrogen Bond ◽  
Benzene Ring ◽  
Torsion Angle ◽  
Title Compound ◽  
Furan Ring ◽  
Pyrazole Ring ◽  
The Other ◽  
Dihedral Angles ◽  
Compound C ◽  
Benzene Rings

In the title compound, C14H10F3N3O3S, there are significant twists in the molecule, as seen in the values of the dihedral angles between the pyrazole ring and each of the furan [31.1 (2)°] and benzene rings [55.58 (10)°]. The amino N atom occupies a position almost normal to the benzene ring [N—S—Car—Car(ar = aromatic) torsion angle = 83.70 (19)°]. One amino H atom forms a hydrogen bond to the tricoordinate pyrazole N atom and the other interacts with a sulfonamide O atom, forming a supramolecular chain along [010]. The chains are consolidated into a supramolecular layersviaC—H...O interactions involving the second sulfonamide O atom; layers stack along [10-1]. The furan ring was found to be disordered over two diagonally opposite orientations of equal occupancy.

scholarly journals Crystal structure of 3-chloro-N-(2-nitrophenyl)benzamide

2015 ◽  
Vol 71 (9) ◽  
pp. o674-o674
Author(s):  
Rodolfo Moreno-Fuquen ◽  
Alexis Azcárate ◽  
Alan R. Kennedy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean ◽  
Amide Fragment ◽  
Short Contacts

In the title compound, C13H9ClN2O3, the mean plane of the central amide fragment (r.m.s. deviation = 0.016 Å) subtends dihedral angles of 15.2 (2) and 8.2 (2)° with the chloro- and nitro-substituted benzene rings, respectively. An intramolecular N—H...O hydrogen bond generates anS(6) ring. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, formingC(7) chains which propagate along [010], but no Cl...Cl short contacts are observed.

scholarly journals 4-[(5-Bromo-2-hydroxybenzylidene)amino]-3-propyl-1H-1,2,4-triazole-5(4H)-thione

2012 ◽  
Vol 68 (6) ◽  
pp. o1674-o1674 ◽  
Author(s):  
Xin Wu ◽  
Cai-Xia Yuan ◽  
Ling Ma ◽  
Kai-Lu Zhai ◽  
Miao-Li Zhu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C12H13BrN4OS, contains two independent molecules in which the dihedral angles between the triazole and benzene rings are 2.9 (3) and 7.5 (3)°. The thione group is of the form R 2C=S. An intramolecular O—H...N hydrogen bond occurs in each molecule. The crystal structure features weak N—H...S interactions and π–π stacking of the benzene rings [centroid–centroid distance = 3.667 (3) Å].

scholarly journals Crystal structure ofN-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

2014 ◽  
Vol 70 (9) ◽  
pp. o951-o952 ◽  
Author(s):  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
H. S. Yathirajan ◽  
Thammarse S. Yamuna ◽  
K. Byrappa
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Thiophene Ring ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Benzene Rings

In the title compound, C22H19NO2S, the cyclohexene ring adopts a half-chair conformation. The dihedral angles between the plane of the thiophene ring and those of its amide- and carbonyl-bonded benzene rings are 7.1 (1) and 59.0 (2)°, respectively. An intramolecular N—H...O hydrogen bond generates anS(6) ring. In the crystal, very weak aromatic π–π stacking interactions [centroid–centroid separation = 3.9009 (10) Å] are observed.

scholarly journals 1-[3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone

2012 ◽  
Vol 68 (4) ◽  
pp. o1023-o1023
Author(s):  
Hoong-Kun Fun ◽  
Ching Kheng Quah ◽  
S. Samshuddin ◽  
B. Narayana ◽  
B. K. Sarojini
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

In the title compound, C18H17ClN2O2, the benzene rings form dihedral angles of 6.69 (6) and 74.88 (5)° with the 4,5-dihydro-1H-pyrazole ring. The benzene rings form a dihedral angle of 76.67 (5)° with each other. In the crystal, molecules are linkedviabifurcated (C,C)–H...O hydrogen bonds into chains along [010]. The crystal structure is further consolidated by C—H...π interactions.

scholarly journals Crystal structure ofcatena-poly[bis[μ3-2-(2-nitrophenyl)acetato-κ3O:O:O′]disilver(I)]

2015 ◽  
Vol 71 (5) ◽  
pp. m118-m119
Author(s):  
Muhammad Danish ◽  
Muhammad Nawaz Tahir ◽  
Sana Iftikhar ◽  
Nazir Ahmad
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Acetic Acid ◽  
Title Compound ◽  
Silver Complex ◽  
Dihedral Angles ◽  
Coordination Environment ◽  
Hydrogen Bond Interactions ◽  
Polymeric Chains ◽  
Benzene Rings

The title compound, [Ag2(C8H6NO4)2]n, is a silver complex of 2-(2-nitrophenyl)acetic acid. The molecules are not conventional crystallographic inversion dimers but consist of two independent ligands and two AgIions, each with a distorted T-shaped coordination environment. The dihedral angles between acetate groups and the benzene rings are 51.1 (2) and 57.9 (2)°. The nitro groups are oriented at dihedral angles of 23.6 (5) and 32.3 (3)° with respect to the parent benzene rings. The dimers form polymeric chains along thea-axis direction. The Ag...Ag separation within a dimer is 2.8200 (5) and between symmetry-related dimers is 3.6182 (5) Å. The polymeric chains are interlinked by C—H...O hydrogen-bond interactions.

scholarly journals 2-[3,5-Bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4,6-bis(4-methoxyphenyl)pyrimidine

2012 ◽  
Vol 68 (8) ◽  
pp. o2398-o2398 ◽  
Author(s):  
Rajni Kant ◽  
Vivek K. Gupta ◽  
Kamini Kapoor ◽  
S. Samshuddin ◽  
B. Narayana
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Pyrazole Ring ◽  
Pyrimidine Ring ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C35H32N4O4, the pyrazole ring forms a dihedral angle of 15.04 (8)° with the adjacent pyrimidine ring. The pyrimidine ring forms dihedral angles of 9.95 (8) and 1.86 (7)° with its adjacent methoxy-substituted benzene rings, whereas the equivalent angles are 80.24 (9) and 11.55 (9)° for the pyrazole ring and its adjacent benzene rings. The crystal packing features π–π interactions, the centroid–centroid distance between the pyrimidine and methoxyphenyl rings being 3.604 (1) Å. The pyrazole ring is nearly planar, with a maximum deviation of 0.020 (3) Å for the –CH2– carbon.

Ethyl 4-{5-[1-(hydroxymethyl)ethylaminocarbonyl]-1,3-benzodioxol-4-yl}-7-methoxy-3-benzodioxole-5-carboxylate

2006 ◽  
Vol 62 (4) ◽  
pp. o1269-o1270 ◽  
Author(s):  
Xiu-Xiang Qi ◽  
Ji-Shuan Suo ◽  
Li-Min Wang ◽  
Xiao-He Guo ◽  
Sen-Xiang Cheng
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Benzene Rings

In the title compound, C23H25NO10, the five-membered rings adopt envelope conformations and the dihedral angle between the two benzene rings is 67.1 (7)°. The crystal structure is stabilized by intramolecular N—H...O and intermolecular O—H...O hydrogen-bond interactions.

scholarly journals Crystal structure of 5-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde

2015 ◽  
Vol 71 (12) ◽  
pp. o1031-o1032
Author(s):  
Farook Adam ◽  
Seranthimata Samshuddin ◽  
Nadiah Ameram ◽  
Subramaya ◽  
Laxminarayana Samartha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Aldehyde Group ◽  
Dihedral Angles ◽  
Single Bond ◽  
Compound C ◽  
Benzene Rings

The title compound, C19H21N3O, comprises a central pyrazole ring which is N-connected to an aldehyde group and C-connected twice to substituted benzene rings. The pyrazole ring is twisted on the C—C single bond, and the least-squares plane through this ring forms dihedral angles of 82.44 (5) and 4.52 (5)° with the (dimethylamino)benzene andp-tolyl rings, respectively. In the crystal, weak C—H...O hydrogen bonds link molecules into supramolecular tubes along thebaxis.

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