scholarly journals 3-Methyl-5,6-diphenyl-1H-pyrazolo[1,2-a]cinnolin-1-one

IUCrData ◽  
2017 ◽  
Vol 2 (4) ◽  
Author(s):  
Sivakalai Mayakrishnan ◽  
Y. Arun ◽  
Narayanan Uma Maheswari
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Bond Forming ◽  
Compound C ◽  
Phenyl Rings ◽  
Independent Molecules ◽  
Ring Motif

The asymmetric unit of the title compound, C24H18N2O, comprises two crystallographically independent molecules (AandB), with slightly different conformations. In each molecule, there is an intramolecular C—H...O hydrogen bond forming anS(6) ring motif. The pyridazine rings of the pyrazolo[1,2-a]cinnoline units have screw-boat conformations. Their mean planes are inclined to the phenyl rings by 83.81 (8) and 74.19 (8)° in moleculeA, and 89.72 (8) and 71.07 (8)° in moleculeB. In the crystal, theAandBmolecules are linked by a pair of C—H...O hydrogen bonds, forming an A–B dimer with anR22(14) ring motif. These dimers are linked by further C—H...O hydrogen bonds, forming ribbons propagating along theb-axis direction. The ribbons are linked by a number of C—H...π interactions, forming a three-dimensional structure.

scholarly journals (E)-4-Hydroxy-6-methyl-3-[1-(2-phenylhydrazinylidene)ethyl]-2H-pyran-2-one

IUCrData ◽  
2016 ◽  
Vol 1 (5) ◽  
Author(s):  
Samra Rahmouni ◽  
Amel Djedouani ◽  
Rachid Touzani ◽  
Solenne Fleutot ◽  
Abderrahmen Bendaas
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Pyran Ring ◽  
Compound C ◽  
Independent Molecules ◽  
Ring Motif

The title compound, C14H14N2O3, crystallized with three crystallographically independent molecules (A,BandC) in the asymmetric unit. The three molecules each have anEconformation about the C=N bond but differ in the orientation of the phenyl and pyran rings. The dihedral angles between the phenyl and pyran ring planes are 14.30 (1), 28.38 (1) and 25.58 (1)° in moleculesA,BandC, respectively. There is an intramolecular O—H...N hydrogen bond in each molecule with anS(6) ring motif. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds, forming layers parallel to (001), enclosingR22(8) andR33(21) ring motifs. The layers are linkedviaC—H...π interactions, forming bilayers, which are joined by a further C—H...π interaction, forming a three-dimensional structure.

scholarly journals Crystal structure of 4-bromo-2-(1H-imidazo[4,5-b]pyridin-2-yl)phenol

2015 ◽  
Vol 71 (12) ◽  
pp. o991-o992
Author(s):  
Kamel Ouari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Bond Forming ◽  
Pyridine Moiety ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Motif

In the title compound, C12H8BrN3O, the 4-bromophenol ring is coplanar with the planar imidazo[4,5-b]pyridine moiety (r.m.s deviation = 0.015 Å), making a dihedral angle of 1.8 (2)°. There is an intramolecular O—H...N hydrogen bond forming anS(6) ring motif. In the crystal, molecules are linkedviaN—H...N and O—H...Br hydrogen bonds, forming undulating sheets parallel to (10-2). The sheets are linked by π–π interactions [inter-centroid distance = 3.7680 (17) Å], involving inversion-related molecules, forming a three-dimensional structure.

scholarly journals Crystal structure of (Z)-2-(1-benzyl-2-oxoindolin-3-ylidene)-N-phenylhydrazine-1-carbothioamide

2015 ◽  
Vol 71 (3) ◽  
pp. o160-o161
Author(s):  
G. Vimala ◽  
J. Haribabu ◽  
R. Karvembu ◽  
B. V. N. Phani Kumar ◽  
A. SubbiahPandi
Keyword(s):  
Phenyl Ring ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Phenyl Rings ◽  
The Mean ◽  
Independent Molecules ◽  
Ring Motif

The title compound, C22H18N4OS, crystallized with four independent molecules (A,B,CandD) in the asymmetric unit. All four molecules have aZconformation about the C=N bond with the benzyl ring being inclined to the indoline ring mean planes by 73.4 (2), 77.9 (2), 73.2 (2) and 77.2 (2)° in moleculesA,B,CandD, respectively. In moleculesAandB, the phenyl ring is inclined to the mean plane of the indoline ring mean plane by 12.0 (2) and 12.2 (2)°, respectively. However, in moleculesCandD, the same dihedral angles are larger,viz.37.3 (2) and 36.4 (2)°, respectively. Consequently, the benzyl and phenyl rings are almost normal to one another in moleculesAandB[dihedral angles = 80.3 (3) and 87.1 (3)°, respectively], while in moleculesCandD, the same dihedral angles are only 48.8 (2) and 43.8 (3)°, respectively. There is an intramolecular N—H...O hydrogen bond in each molecule with anS(6) ring motif. There are also short intramolecular N—H...N and C—H...S contacts in each molecule. In the crystal, molecules are linkedviaC—H...S hydrogen bonds and C—H...π interactions, forming a three-dimensional structure. The crystal was refined as a non-merohedral twin with a final BASF value of 0.110 (1).

scholarly journals Crystal structures ofN-(4-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide andN-(3-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide

2017 ◽  
Vol 73 (4) ◽  
pp. 467-471 ◽  
Author(s):  
S. Subasri ◽  
Timiri Ajay Kumar ◽  
Barij Nayan Sinha ◽  
Venkatesan Jayaprakash ◽  
Vijayan Viswanathan ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Three Dimensional ◽  
Pyrimidine Ring ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Independent Molecules ◽  
Compound Ii ◽  
Ring Motif

The title compounds, C12H12ClN5OS, (I), and C12H12ClN5OS, (II), are 2-[(diaminopyrimidin-2-yl)sulfanyl]acetamides. Compound (II), crystallizes with two independent molecules (AandB) in the asymmetric unit. In each of the molecules, in both (I) and (II), an intramolecular N—H...N hydrogen bond forms anS(7) ring motif. The pyrimidine ring is inclined to the benzene ring by 42.25 (14)° in (I), and by 59.70 (16) and 62.18 (15)° in moleculesAandB, respectively, of compound (II). In the crystal of (I), molecules are linked by pairs of N—H...N hydrogen bonds, forming inversion dimers with anR22(8) ring motif. The dimers are linkedviabifurcated N—H...O and C—H...O hydrogen bonds, forming corrugated layers parallel to theacplane. In the crystal of (II), theAmolecules are linked through N—H...O and N—H...Cl hydrogen bonds, forming layers parallel to (100). TheBmolecules are also linked by N—H...O and N—H...Cl hydrogen bonds, also forming layers parallel to (100). The parallel layers ofAandBmolecules are linkedviaN—H...N hydrogen bonds, forming a three-dimensional structure.

scholarly journals t-3-Benzyl-r-2,c-6-diphenylpiperidin-4-one

IUCrData ◽  
2016 ◽  
Vol 1 (2) ◽  
Author(s):  
R. Arulraj ◽  
S. Sivakumar ◽  
A. Thiruvalluvar ◽  
A. Manimekalai
Keyword(s):  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Dimensional Structure ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Phenyl Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C24H23NO, contains two crystallographically independent molecules (AandB). In both molecules, the piperidine rings adopt a chair conformation and the phenyl rings and the benzyl group substituents are attached equatorially. The dihedral angle between the phenyl rings is 60.80 (10)° in moleculeAand 68.43 (9)° in moleculeB. The phenyl ring of the benzyl group makes dihedral angles of 76.95 (9) and 42.25 (10)° with the phenyl rings in moleculeA, and dihedral angles of 81.38 (11) and 30.19 (11)° in moleculeB. In the crystal, the two molecules are linked by N—H...O hydrogen bonds, forming –A–B–A–B– chains along [100]. In addition, five C—H...π interactions are also present, linking the chains to form a three-dimensional structure.

scholarly journals 3-Hexyl-5,5-diphenylimidazolidine-2,4-dione

IUCrData ◽  
2018 ◽  
Vol 3 (1) ◽  
Author(s):  
Walid Guerrab ◽  
Joel T Mague ◽  
Jamal Taoufik ◽  
Youssef Ramli
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Compound C ◽  
Independent Molecules ◽  
A Chain

The asymmetric unit of the title compound, C21H24N2O2, consists of two independent molecules differing primarily in the orientation of the ends of the hexyl substituent, the C—C—C—C torsion angles being 71.7 (3) and170.5 (2)°. In the crystal, each independent molecule forms a chain along the a-axis direction through a C—H...O hydrogen bond with one chain also including a C—H...π interaction. Paired N—H...O hydrogen bonds between independent molecules form ribbons with additional C—H...O hydrogen bonds and C—H...π(ring) interactions tying them into a three-dimensional structure.

scholarly journals 2,3-Dihydrobenz[4,5]imidazo[2,1-b]thiazole

IUCrData ◽  
2016 ◽  
Vol 1 (12) ◽  
Author(s):  
Ahmed Moussaif ◽  
Youssef Ramli ◽  
Nada Kheira Sebbar ◽  
El Mokhtar Essassi ◽  
Joel T. Mague
Keyword(s):  
Hydrogen Bond ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Thiazole Ring ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Independent Molecules ◽  
And Inversion

The asymmetric unit of the title compound, C9H8N2S, consists of two independent molecules (AandB) differing in the conformation of the thiazole ring: twisted for moleculeAand planar for moleculeB. In the crystal, molecules stack along thecaxis in alternatingAandBlayers. Within the layers, molecules are linked by C—H...π interactions, and inversion-relatedBmolecules are linked by offset π–π interactions [inter-centroid distance = 3.716 (1) Å]. The two molecules are also linked by a C—H...N hydrogen bond, which results finally in the formation of a three-dimensional structure.

scholarly journals Crystal structure of 5-chloro-N1-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine

2017 ◽  
Vol 73 (6) ◽  
pp. 876-879
Author(s):  
Yegor Yartsev ◽  
Vitaliy Palchikov ◽  
Alexandr Gaponov ◽  
Svitlana Shishkina
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Pyrazole Ring ◽  
Steric Repulsion ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Bond Forming ◽  
Compound C ◽  
Phenyl Rings ◽  
Independent Molecules

The title compound, C15H13ClN4, crystallizes with two independent molecules (AandB) in the asymmetric unit, which are far from planar as a result of steric repulsion between the rings. The benzene and phenyl rings are inclined to the central pyrazole ring by 46.64 (10) and 17.87 (10)° in moleculeA, and by 40.02 (10) and 14.18 (10)° in moleculeB. The aromatic rings are inclined to one another by 58.77 (9)° in moleculeA, and 36.95 (8)° in moleculeB. In the crystal, theAandBmolecules are linked by two pairs of N—H...N hydrogen bonds formingA–Bdimers. These are further linked by a fifth N—H...N hydrogen bond, forming tetramer-like units that stack along thea-axis direction, forming columns, which are in turn linked by C—H...π interactions, forming layers parallel to theacplane.

scholarly journals Crystal structure of (E)-3-(3,4-dimethoxyphenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one

2015 ◽  
Vol 71 (5) ◽  
pp. o371-o372 ◽  
Author(s):  
K. S. Ezhilarasi ◽  
D. Reuben Jonathan ◽  
R. Vasanthi ◽  
B. K. Revathi ◽  
G. Usha
Keyword(s):  
Hydrogen Bond ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Carbonyl Groups ◽  
Naphthalene Ring ◽  
Bond Forming ◽  
Compound C ◽  
Benzene Rings ◽  
Ring Motif

The molecular structure of the title compound, C21H18O4, consists of a 3,4-dimethoxyphenyl ring and a naphthalene ring system linkedviaa prop-2-en-1-one spacer. The molecule is almost planar, with a dihedral angle between the benzene ring and the naphthalene ring system of 2.68 (12)°. There is an intramolecular O—H...O hydrogen bond involving the adjacent hydroxy and carbonyl groups. The molecule has anEconformation about the C=C bond and the carbonyl group issynwith respect to the C=C bond. In the crystal, molecules are linked by bifurcated C—H...(O,O) hydrogen bonds, enclosing anR21(6) ring motif, and by a further C—H...O hydrogen bond, forming undulating sheets extending inb-andc-axis directions. There are π–π interactions between the sheets, involving inversion-related naphthalene and benzene rings [intercentroid distance = 3.7452 (17) Å], forming a three-dimensional structure.

scholarly journals 6,7-Dimethoxy-2,4-diphenylquinoline

2014 ◽  
Vol 70 (2) ◽  
pp. o165-o165
Author(s):  
M. Prabhuswamy ◽  
S. Madan Kumar ◽  
T. R. Swaroop ◽  
K. S. Rangappa ◽  
N. K. Lokanath
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Compound C ◽  
Centroid Distance ◽  
Phenyl Rings ◽  
Independent Molecules ◽  
Dimeric Aggregates

In the title structure of the title compound, C23H19NO2, two conformationally similar molecules (AandB) comprise the asymmetric unit. The dihedral angle between phenyl rings bridged by the quinoline moiety are 76.25 (8)° in moleculeAand 70.39 (9)° in moleculeB. In the crystal, the independent molecules are connected by C—H...O hydrogen bonds and the resulting dimeric aggregates are linked by π–π [inter-centroid distance = 3.7370 (8) Å] and C—H...π interactions, forming a three-dimensional architecture.

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