In the title compound, C(16)H(14)N(2)O(3)·4H(2)O, the dihedral angle between the mean planes of the benzimidazole ring system and benzene ring is 2.9 (1)°. The aldehyde group is disordered over two sets of sites with refined occupancies of 0.559 (4) and 0.441 (4). In the crystal, extensive inter-molecular O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds in concert with weak π-π stacking inter-actions [cen...

In the title salt, C(18)H(19)N(4)O(+)·PF(6) (-), the dihedral angle between the benzimidazolium and benzimidazole ring systems is 16.24 (2)°. In the cation, a π-π inter-action is observed between the imidazolium ring and the benzene ring of the benzimidazole ring system [centroid-centroid distance = 3.5713 (11) Å]. The PF(6) (-) ion is disordered over two sites, with occupancies of 0.895 (2) an...

The asymmetric unit of the title compound, C(18)H(22)N(2), contains two independent mol-ecules which differ slightly with respect to the torsion angles involving the atoms joining the adamantyl and benzimidazole groups. The bond angles in the adamantane cage vary within the range 108.27 (9)-110.55 (10)°. The benzimidazole ring system in both mol-ecules is essentially planar, the maximum deviati...

In the title compound, C14H16N2O4·H2O, three substituent groups are located on the same side of the benzimidazole ring plane. In the crystal, O-H⋯O hydrogen bonds and π-π stacking between parallel imidazole rings [centroid-centroid distance = 3.858 (4) Å] link the mol-ecules into a three-dimensional supra-molecular structure.

In the title compound, C(19)H(18)NO(2), the dihedral angle between the benzimidazole and phenyl ring planes is 18.18 (17)°. The atoms of the ethyl side chain are disordered over two sets of sites in a 0.50:0.50 ratio. In the crystal, inter-molecular C-H⋯O hydrogen bonds and C-H⋯π contacts help to consolidate the packing.

In the title compound, C19H22N2, both the benzimidazole unit and the 2,6-diiso-propyl-phenyl group are essentially planar [maximum deviations from the least-squares planes of 0.005 (1) and 0.009 (1) Å, respectively]. The dihedral angle between the two planes is 79.6 (7)°. In the crystal, mol-ecules are linked into chains along the a-axis direction by weak C-H⋯N inter-actions. The crystal struct...

In the title compound, C16H14N2O, the benzimidazole ring system is essentially planar. The planes of the benzene rings make a dihedral angle of 85.92 (8)°. In the crystal, neighbouring molecule are connected into paris along the c axis by weak C-H⋯O interactions and the connected pairs are expanded through C-H⋯N hydrogen bonds and C-H⋯π interactions along the b axis.

The isolation of three cobamide coenzymes has been briefly reported (1, 2). Methods used in the assay and purificat.ion of the adenylcobamide coenzyme have been described in some detail (3). This paper describes methods used in the isolation of the benzimidazolylcobamide and 5,6-dimethylbenzimidazolylcobamide coenzymes, both of which have been obtained as crystalline products. Some properties o...

In the title compound, C(13)H(16)N(2)O(2), the planes of the benzimidazole ring system and the acetate O-C=O fragment make a dihedral angle of 84.5 (3)°. In the crystal, mol-ecules are connected through C-H⋯N hydrogen bonds to form infinite chains in the [-110] direction.

Purpose. In this work, a novel descriptor of atoms in molecules is introduced. The Refractotopological State Index for atoms (R-state,R ), rectifies the atomic refractivity values reported by Crippen et al with the atomic refractivity values of the topological environment of each skeletal atom in the molecule. Method. The R-state (R i), for atom i is an hybrid index that is defined as the intri...