29 research outputs found
1,3-Bis(3-phenylpropyl)benzimidazolium bromide monohydrate
In the title compound, C25H27N2
+·Br−·H2O, the benzimidazole unit is essentially planar, with a maximum deviation of 0.020 (6) Å. The benzimidazole unit makes dihedral angles of 83.6 (3) and 81.0 (3)° with the two terminal phenyl rings. The dihedral angle between the phenyl rings is 58.5 (4)°. In the crystal structure, there are C—H⋯O hydrogen bonds, a C—H⋯π interaction between a phenyl H atom and the phenyl ring of a neighbouring molecule, and a π–π interaction [3.512 (3) Å] between the centroids of the five-membered ring and the benzene ring of the benzimidazole unit of an adjacent molecule
N′-[(2Z)-3-Allyl-4-oxo-1,3-thiazolidin-2-ylidene]-5-fluoro-3-phenyl-1H-indole-2-carbohydrazide
In the title compound, C21H17FN4O2S, the planar indole fused-ring [maximum deviation 0.009 (1) Å] makes dihedral angles of 54.75 (9) and 14.90 (9)°, respectively, with the phenyl ring and the dihydrothiazolyl ring. The –CH2CH=CH2 substituent is disordered over two positions in a 0.51 (1):0.49 (1) ratio. An intramolecular N—H⋯S hydrogen bond generates an S(5) ring motif. The two independent molecules are linked into a dimer by two N—H⋯O hydrogen bonds, forming an R
2
2(10) ring motif. The crystal structure features intermolecular C—H⋯π and π–π stacking [centroid–centroid distance = 3.679 (1) Å] interactions. C—H⋯O and C—H⋯F interactions are also present
Methyl 2-(2-hydroxybenzylideneamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
In the title compound, C17H17NO3S, the cyclohexene ring is essentially planar, with a maximum deviation of 0.006 (1) Å. The cyclohexene ring adopts a half-chair conformation. The dihedral angle between the thiophene and benzene rings is 29.7 (1)°. The molecular structure exhibits intramolecular O—H⋯O, O—H⋯N and C—H⋯S hydrogen bonds, which generate one S(5) and two S(6) motifs. There is also a C—H⋯π interaction between the cyclohexene ring system and the π-system of the benzene ring
1-Cyclohexylmethyl-3-methyl-2-[(phenylimino)(sulfido)methyl]benzimidazolium
In the zwitterionic title compound, C22H25N3S, the benzimidazole ring system makes a dihedral angle of 55.69 (11)° with the phenyl ring. In the crystal structure, inter- and intramolecular C—H⋯S interactions occur
Bis[dichlorido(5,5′-dimethyl-2,2′-bipyridine-κ2 N,N′)gold(III)] tetrachloridoaurate(III) dichloridooaurate(I)
The title compound, [AuIIICl2(C12H12N2)]2[AuIIICl4][AuICl2], contains three distinct types of Au atom. In the cation, the AuIII atom is four-coordinated in a distorted square-planar arrangement by an N,N′-bidentate 5,5′-dimethyl-2,2′-bipyridine ligand and two terminal Cl atoms. In the [AuCl4]− anion, the centrosymmetric AuIII atom has a square-planar coordination. The centrosymmetric [AuCl2]− anion is linear. Intra- and intermolecular C—H⋯Cl hydrogen bonds help to establish the conformation and packing
4-(9-Anthryl)-1-(4-methoxyphenyl)spiro[azetidin-3,9′-xanthen]-2-one
In the title molecule, C36H25NO3, the β-lactam ring is essentially planar, with a dihedral angle of 3.3 (2)° between the two separate three-atom N/C/C planes. The β-lactam ring makes dihedral angles of 28.45 (14), 87.4 (1) and 51.8 (1)° with the mean planes of the benzene, xanthene and anthracene ring systems, respectively. In addition to a weak intramolecular C—H⋯N hydrogen bond, the crystal structure is stabilized by two weak intermolecular C—H⋯O hydrogen bonds
5-Chlorobenzothiazole-2-spiro-3′-indolin-2′-one
The title compound, C14H9ClN2OS, crystallizes with two unique molecules, A and B, in the asymmetric unit. The five-membered rings of the benzothiazole groups in both molecules adopt an envelope conformation [puckering parameters: q
2 = 0.242 (1) Å and ϕ2 = 217.5 (4)° for A, and q
2 = 0.234 (1) Å and ϕ2 = 37.7 (4)° for B]. The five-membered rings of the indolinone groups in both molecules are also not planar, with a twisted conformation [puckering parameters are q
2 = 0.112 (2) Å and ϕ2 = 126.3 (8)° for A, and q
2 = 0.108 (2) Å and ϕ2 = 306.4 (9)° for B]. In the crystal structure, there are intermolecular N—H⋯O, N—H⋯S and C—H⋯O hydrogen-bonding interactions, forming the layers propagating normal to c
1,1 '-butane-1,4-diylbis(1H-benzimidazole)
The molecule of the title compound, C18H18N4, is disposed about a center of inversion. The dihedral angle between the five- and six-membered rings is 1.23 (6)degrees, showing almost exact coplanarity
N '-[(2Z)-3-Allyl-4-oxo-1,3-thiazolidin-2-ylidene]-5-fluoro-3-phenyl-1H-indole-2-carbohydrazide
In the title compound, C(21)H(17)FN(4)O(2)S, the planar indole fused-ring [maximum deviation 0.009 (1) angstrom] makes dihedral angles of 54.75 (9) and 14.90 (9)degrees, respectively, with the phenyl ring and the dihydrothiazolyl ring. The -CH(2)CH = CH(2) substituent is disordered over two positions in a 0.51 (1):0.49 (1) ratio. An intramolecular N-H center dot center dot center dot S hydrogen bond generates an S(5) ring motif. The two independent molecules are linked into a dimer by two N-H center dot center dot center dot O hydrogen bonds, forming an R(2)(2)(10) ring motif. The crystal structure features intermolecular C-H center dot center dot center dot pi and pi-pi stacking [centroid-centroid distance = 3.679 (1) angstrom] interactions. C-H center dot center dot center dot O and C-H center dot center dot center dot F interactions are also present