A new monoclinic form of the title compound, C(14)H(16)N(4)O(2)S, has been identified unexpectedly during an attempt to synthesize a coordination compound. The heterocyclic ring is essentially planar (r.m.s. deviation = 0.005 Å) and makes a dihedral angle of 8.77 (5)° with the benzene ring. This is in contrast to 12.24 (7)° reported for the first monoclinic polymorph [Booysen et al. (2011 ▶). A...

Benzimidazole, which is a heterocyclic nucleus, plays an important role in various medicines. A number of therapeutic agents such as H1 antihistaminic agent clemizole, a potent opioid analgesic etonitazene, nonnucleoside antiviral compound enviroxime, for promotion of excretion of uric acid irtemazole, non sedating antihistaminic agent astemizole, anti ulcer drugs omeprazole and pentoprazole, a...

The asymmetric unit of the title N-heterocyclic carbene compound, C(22)H(32)N(4) (2+)·2PF(6) (-), consists of one half of the N-heterocyclic carbene dication and one hexa-fluoro-phosphate anion. The dication lies across a crystallographic inversion center. The imidazole ring is twisted away from the central benzene ring, making a dihedral angle of 76.23 (6)°. The hexa-fluoro-phosphate anions li...

The complete molecule of the title compound, C(31)H(42)N(2)O(6), is generated by crystallographic twofold symmetry, with one C atom lying on the axis. The dihedral angle between the aromatic rings is 57.03 (6)°. The central heterocyclic ring adopts a half-chair conformation. The mol-ecular conformation is stabilized by two intra-molecular O-H⋯N hydrogen bonds with the N atoms of the heterocycli...

The title compound, C(18)H(20)Br(2)N(2)O(2), the heterocyclic ring adopts a chair conformation. The benzene rings make dihedral angles of 86.84 (10) and 60.73 (10)° with the mean plane of the heterocyclic ring. The dihedral angle between the two benzene rings is 79.77 (10)°. The mol-ecular structure is stabilized by two intra-molecular hydrogen bonds between the phenolic hy-droxy groups and N a...

The title compound, C(14)H(16)N(4)O(2)S, is a Schiff base derivative of 2-(methyl-sulfan-yl)benzaldehyde. The configuration about the C=N double bond is E. The heterocyclic ring is essentially planar (τ = 3.1°) and makes a dihedral angle of 12.24 (7)° with the benzene ring. An intra-molecular N-H⋯S hydrogen bond is observed. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds link mol-ecules into la...

The mechanism of the cycloaddition reaction between singlet state dichlorosilylene germylidene (Cl2Si=Ge:) and acetone has been investigated with B3LYP/6-31G* and B3LYP/6-31G** method, from the potential energy profile, we predict that the reaction has one dominant reaction pathway. The presented rule of the reaction is that the two reactants firstly form a Si-heterocyclic four-membered ring ge...

Using appropriate precursors, the two unnatural alkaloids 4(5)-[N-isocaproylaminomethyl]imidazole and 3-[2-N-isovalerylaminoethyl]pyrazole were produced by Dolichothele sphaerica. The former compound represents an unnatural alkaloid formed by the simultaneous introduction of two unnatural precursors, namely isocaproic acid and 4(5)-aminomethylimidazole. The latter compound represents an aberran...