62 research outputs found
5-Methyl-3-[1-(2-pyridylmethyl)-1H-benzimidazol-2-ylmethyl]isoxazole
The title compound, C18H16N4O, is built up from fused six- and five-membered rings linked to a five-membered isoxazole ring and to a six-membered pyridine ring through a CH2 group. The fused-ring system is essentially planar, with a maximum deviation of 0.019 (1) Å. It forms interplanar angles of 70.03 (7)° with the isoxazole ring and 81.68 (7)° with the pyridine ring; the two latter rings are also planar, the maximum deviations from the mean planes being 0.0028 (15) and 0.0047 (12) Å, respectively. In the crystal, weak intermolecular non-classical C—H⋯N hydrogen bonds link the molecules, forming a zigzag-like chain parallel to the b axis. A weak intramolecular C—H⋯N hydrogen bond may help to define the conformation of the molecule
6-Methyl-7,7,9-tripropargyl-7H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-8(9H)-one
The title compound, C15H13N5O, features a triazolyl ring fused with a seven-membered triazepinyl ring; the latter ring adopts a boat conformation (with the propargyl-bearing C atom as the prow and the fused-ring C/N atoms as the stern)
1,3-Dibenzyl-2-methylbenzimidazolium chloride
The cation of the title salt, C22H21N2
+·Cl−, contains a planar benzimidazolium unit (r.m.s. deviation = 0.02 Å); the phenyl rings of the benzyl substituents form dihedral angles of 68.2 (1) and 79.7 (1)° with the plane of the benzimidazolium fragment
1,3-Diallyl-2-methylbenzimidazolium bromide dihydrate
The bonds in the five-membered ring of the title hydrated salt, C14H17N2
+·Br−·2H2O, are delocalized. The cation lies on a special position of m site symmetry such that the mirror plane passes through the imidazolyl–methyl bond and is perpendicular to the plane of the cation. The anion lies on another special position of 2 site symmetry. The anion and uncoordinated water molecule are linked into a chain by O—H⋯O hydrogen bonds. One of the water O atoms is disordered over two sites of equal occupancy
7,9-Diallyl-6-methyl-7H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-8(9H)-one
The title compound, C12H15N5O, features a triazolyl ring fused with a seven-membered triazepinyl ring; the latter ring adopts a boat conformation with the allyl-bearing C atom as the prow and the C and N fused-ring atoms as the stern
4-Phenyl-9,12,15-trioxa-1,5,6,18-tetraazatetracyclo[16.6.1.02,6.019,24]pentaconta-2,4,19,21,23-pentaen-25-one
The title compound, C24H26N4O4, is a diaza-crown ether encompassing linked phenylpyrazolyl and benzimidazole units that contribute five atoms to the 16-atom ring. The two planar phenylpyrazolyl and benzimidazole units are aligned at an angle of 66.4 (1)°. The carbonyl O atom of the benzimidazole unit is directed away from the middle of the ring
Ethyl 2-(2-amino-5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7-yl)acetate
The nine-membered fused-ring of the title compound, C10H13N5O2, is approximately planar [maximum deviation = 0.012 (1) Å]; the bond angle at the methylene C atom is 111.33 (10)°. In the crystal, the amino group forms hydrogen bonds to the N atoms of the triazole rings of adjacent molecules, generating a ribbon running along the a axis
1-Benzyl-3-[(dimethylamino)methylene]-4-phenyl-1H-1,4-benzodiazepin-2(3H)-one
The title compound, C25H23N3O, features a benzene ring fused with a seven-membered 1,4-diazepine ring; the latter ring adopts a boat conformation with the (dimethylamino)methyl-bearing C atom as the prow and the fused-ring C atoms as the stern. There are two independent molecules in the asymmetric unit with similar conformations
- …