scholarly journals Crystal structure of 2-{[2-(3-phenylallylidene)hydrazin-1-yl]thiocarbonylsulfanylmethyl}pyridinium chloride

2014 ◽  
Vol 70 (11) ◽  
pp. o1207-o1208 ◽  
Author(s):  
May Lee Low ◽  
Thahira Begum S. A. Ravoof ◽  
Mohamed Ibrahim Mohamed Tahir ◽  
Karen A. Crouse ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angles ◽  
Pyridinium Chloride ◽  
Double Bonds ◽  
Phenyl Rings

In the title salt of anS-substituted dithiocarbazate, C16H16N3S2+·Cl−, the dihedral angles between the almost planar (r.m.s deviation = 0.005 Å) central CN2S2residue and the terminal pyridinium and phenyl rings are 80.09 (11) and 3.82 (11)°, respectively, indicating the cation has an L-shape; the amine H and thione S atoms aresyn. The conformation about each of the imine [1.376 (3) Å] and ethene [1.333 (4) Å] bonds isE. The shortened C—C bond [1.444 (4) Å] linking the double bonds is consistent with conjugation in this part of the molecule. In the crystal, supramolecular layers with a jagged topology are formed by charged-assisted amine-H...Cl−and pyridinium-N+—H...Cl−hydrogen bonds. The layers stack along theaaxis with no specific directional interactions between them.

(E)-4-[3-Ethoxy-4-(2-phenoxyethoxy)benzylideneamino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one

2006 ◽  
Vol 62 (7) ◽  
pp. o2963-o2964
Author(s):  
Wen-Jun Zhang ◽  
Zhong-Yu Duan ◽  
Xin Zhao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Ring Plane ◽  
Compound C ◽  
Phenyl Rings ◽  
Centrosymmetric Dimers

The title compound, C28H29N3O4, was prepared by the reaction of 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one and 3-ethoxy-4-(2-phenoxyethoxy)benzaldehyde. The vanillin group makes dihedral angles of 73.08 (8) and 66.54 (6)° with the planes of the two terminal phenyl rings, and an angle of 30.49 (6)° with the pyrazolone ring plane. The crystal structure is stabilized by intermolecular C—H...O hydrogen bonds that form centrosymmetric dimers.

scholarly journals N1-[(1H-Imidazol-2-yl)methylidene]-N4-phenylbenzene-1,4-diamine

2014 ◽  
Vol 70 (7) ◽  
pp. o806-o806 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Ashraf Mashrai ◽  
M. Shahid ◽  
Musheer Ahmad
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Layered Structure ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Compound C ◽  
Centroid Distance ◽  
Phenyl Rings ◽  
A Chain

The title compound, C16H14N4, is non-planar with dihedral angles between the planes of the imidazole and phenylenediamine rings of 30.66 (4)° and between the planes of the phenylenediamine andN-phenyl rings of 56.63 (7)°. In the crystal, molecules are connected by N—H...N hydrogen bonds, generating a chain extending along theb-axis direction. The crystal structure is also stabilized by C—H...π interactions betweenN-phenyl and imidazole rings and slipped π–π stacking interactions between imidazole rings [centroid–centroid distance = 3.516 (4) Å] giving an overall two-dimensional layered structure lying parallel to (010).

scholarly journals Crystal structure of 2-{5-[2-(2-hydroxyphenyl)diazen-1-yl]-1-methylpyrrol-2-yl}phenol methanol monosolvate

2018 ◽  
Vol 74 (6) ◽  
pp. 871-873
Author(s):  
Guiwen Yang ◽  
Huixiao Feng ◽  
Zhenming Yin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Pyrrole Ring ◽  
Ring Structure ◽  
Dihedral Angles ◽  
Compound C ◽  
Azo Group ◽  
Phenyl Rings ◽  
Solvent Molecules

In the title azopyrrole compound, C17H15N3O2·CH3OH, the azo N=N bond adopts a trans configuration and the pyrrole N and azo group are in an anti orientation. The dihedral angles between the pyrrole ring and the two phenyl rings are 6.7 (3) and 54.7 (3)°. In the crystal, a supramolecular ring structure is formed between two azopyrrole and two methanol solvent molecules through four O—H...O hydrogen bonds.

scholarly journals (Z)-2-(4-Methoxyanilino)-1,4-diphenylbut-2-ene-1,4-dione

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
A. J. Ravi ◽  
M. Vinduvahini ◽  
A. C. Vinayaka ◽  
M. P. Sadashiva ◽  
H. C. Devarajegowda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Compound C ◽  
Phenyl Rings ◽  
The Mean

In the molecule of the title compound, C23H19NO3, the mean plane of the methoxyphenyl ring makes dihedral angles of 51.63 (8) and 50.86 (8)° with the terminal phenyl rings. An intramolecular N—H...O hydrogen bond occurs. The crystal structure features C—H...O hydrogen bonds.

scholarly journals 4-(4-Chlorophenyl)-6-hydroxy-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one monohydrate

2009 ◽  
Vol 65 (6) ◽  
pp. o1339-o1339 ◽  
Author(s):  
Mohammad Hossein Mosslemin ◽  
Mohammad Reza Nateghi ◽  
Hesamaddin Sadoughi ◽  
Asal Lamei
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Organic Molecules ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Organic Species ◽  
Compound C ◽  
Phenyl Rings

The asymmetric unit of the title compound, C16H12ClF3N2O3S·H2O, contains two crystallographically independent organic molecules and two water molecules. The organic species are linked by an intermolecular O—H...O hydrogen bond, while the water molecules are connected to them through intermolecular O—H...N hydrogen bonds. The thiophene and phenyl rings are oriented at dihedral angles of 62.35 (4) in the first independent molecule and 60.74 (5)° in the second, while the pyrimidine rings adopt twisted conformations in both molecules. Intramolecular N—H...F interactions result in the formation of two five-membered rings having envelope conformations. In the crystal structure, further intermolecular O—H...O and N—H...O hydrogen bonds link the molecules into chains.

scholarly journals Crystal structure of 1-(1-methyl-1H-imidazol-2-yl)-4-phenyl-1H-1,2,3-triazole dihydrate

2015 ◽  
Vol 71 (12) ◽  
pp. o945-o946 ◽  
Author(s):  
Simone Haslinger ◽  
Gerhard Laus ◽  
Klaus Wurst ◽  
Herwig Schottenberger
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Organic Molecules ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Compound C ◽  
Phenyl Rings

The title compound, C12H11N5·2H2O, which crystallizes as a dihydrate, was obtained by CuI-catalysed azide–alkyne cycloaddition from 2-azido-1-methylimidazole and phenylethyne. The dihedral angles between the central triazole ring (r.m.s. deviation = 0.004 Å) and the pendant imidazole (r.m.s. deviation = 0.006 Å) and phenyl rings are 12.3 (2) and 2.54 (19)°, respectively. In the crystal, the water molecules are connected into [010] chains by O—H...O hydrogen bonds, while O—H...N hydrogen bonds connect the water molecules to the organic molecules, generating corrugated (100) sheets.

scholarly journals Crystal structure of 3-[4-(benzyloxy)phenyl]-2,3-dihydro-1H-benzo[f]chromen-1-one

2014 ◽  
Vol 70 (10) ◽  
pp. o1116-o1117 ◽  
Author(s):  
R. Vasanthi ◽  
D. Reuben Jonathan ◽  
K. S. Ezhilarasi ◽  
S. Sathya ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Chair Conformation ◽  
Ring System ◽  
Dihedral Angles ◽  
Naphthalene Ring ◽  
Pyran Ring ◽  
Compound C ◽  
Phenyl Rings ◽  
Graph Set

In the title compound, C26H20O3, the pyran ring has a distorted half-chair conformation and its mean plane is inclined to the naphthalene ring system, to which it is fused, by 10.79 (9)°. The dihedral angles between the napthalene unit and the benzene and phenyl rings are 54.39 (9) and 52.65 (12)°, respectively, while the benzene and phenyl rings are inclined to one another by 74.80 (14)°. There is a short C—H...O contact in the chromen-1-one unit. In the crystal, molecules are linked by two pairs of C—H...O hydrogen bonds, forming inversion dimers described by graph set motifsR22(8) andR22(10), giving rise to chains running parallel to (101). The chains are linkedviaC—H...π interactions, forming sheets lying parallel to (010).

scholarly journals The crystal structure of zwitterionic 2-{[(4-iminiumyl-3-methyl-1,4-dihydropyridin-1-yl)methyl]carbamoyl}benzoate hemihydrate

2017 ◽  
Vol 73 (7) ◽  
pp. 927-931 ◽  
Author(s):  
C. S. Chidan Kumar ◽  
Ai Jia Sim ◽  
Weng Zhun Ng ◽  
Tze Shyang Chia ◽  
Wan-Sin Loh ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings

The asymmetric unit of the title compound, C15H15N3O3·0.5H2O, comprises two 2-{[(4-iminiumyl-3-methyl-1,4-dihydropyridin-1-yl)methyl]carbamoyl}benzoate zwitterions (AandB) and a water molecule. The dihedral angles between the pyridine and phenyl rings in the zwitterions are 53.69 (10) and 73.56 (11)° inAandB, respectively. In the crystal, molecules are linked by N—H...O, O—H...O, C—H...O and C—H...π(ring) hydrogen bonds into a three-dimensional network. The crystal structure also features π–π interactions involving the centroids of the pyridine and phenyl rings [centroid–centroid distances = 3.5618 (12) Å inAand 3.8182 (14) Å inB].

scholarly journals Crystal structure of 2,9-diphenyl-17λ6-thiatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene-17,17-dione

2014 ◽  
Vol 70 (9) ◽  
pp. o1013-o1014
Author(s):  
S. Gopinath ◽  
P. Narayanan ◽  
K. Sethusankar ◽  
Meganathan Nandakumar ◽  
Arasambattu K. Mohanakrishnan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Dihedral Angles ◽  
Naphthalene Ring ◽  
Compound C ◽  
Phenyl Rings

The title compound, C28H18O2S, is composed of a naphthalene ring system fused with a benzothiophene ring and attached to two phenyl rings. The phenyl rings make dihedral angles of 70.92 (8) and 79.23 (8)° with the essentially planar naphthalene ring system (r.m.s. deviation = 0.031 Å). There is an intramolecular C—H...π interaction present. In the crystal, molecules are linked by C—H...O hydrogen bonds which generateC(7) zigzag chains running parallel to [10-1]. The chains are linkedviafurther C—H...π interactions, forming a three-dimensional structure.

scholarly journals Crystal structure of (2-bromomethyl-1-phenylsulfonyl-1H-indol-3-yl)(phenyl)methanone

2015 ◽  
Vol 71 (2) ◽  
pp. o86-o87 ◽  
Author(s):  
M. Umadevi ◽  
V. Saravanan ◽  
R. Yamuna ◽  
A. K. Mohanakrishnan ◽  
G. Chakkaravarthi
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Indole Ring ◽  
Tetrahedral Configuration ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C22H16BrNO3S, the phenyl rings make dihedral angles of 84.81 (16) and 61.67 (17)° with the indole ring system (r.m.s. deviation = 0.012 Å), while the phenyl rings are inclined to one another by 69.5 (2)°. The molecular structure is stabilized by weak intramolecular C—H...O hydrogen bonds. The sulfonyl S atom has a distorted tetrahedral configuration. In the crystal, there are no significant intermolecular interactions present.

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