ABSTRACT
The benzimidazolone part of the mol-ecule of the title compound, C(15)H(21)N(3)O(3), is almost planar (r.m.s. deviation = 0.007â Å) with its mean plane aligned at a dihedral angle of 10.4â (3)° with respect to the mean plane of the nitro substituent. In the crystal, two mol-ecules are disposed about a center of inversion, generating an N-Hâ¯O hydrogen-bonded cyclic dimer with R(2) (2)(8) graph-set motif.
ABSTRACT
The benzimidazolone part of the title mol-ecule, C(17)H(25)N(3)O(3), is almost planar (r.m.s. deviation = 0.016â Å) and its mean plane is aligned at 7.9â (4) ° with respect to the mean plane of the nitro substituent. In the crystal, two mol-ecules are disposed about a center of inversion, generating a N-Hâ¯O hydrogen-bonded cyclic dimer with a R(2) (2)(8) graph-set motif.
ABSTRACT
The benzimidazolone part of the title mol-ecule, C(13)H(13)ClN(2)O, is almost planar (r.m.s. deviation = 0.006â Å) and its mean plane is aligned at dihedral angles of 62.5â (1) and 78.0â (1)° with respect to the mean planes of the allyl substituents.
ABSTRACT
The title compound, C(11)H(11)BrN(4)O(3), features an ethane fragment substituted with an almost planar (r.m.s. deviation = 0.019â Å) imidazo[4,5-b]pyridone ring system and an envelope-shaped oxazolidine unit on separate C atoms. The N-CH(2)-CH(2)-N torsion angle is 52.5â (4)°. In the crystal, pairs of mol-ecules are linked by N-Hâ¯O hydrogen bonds into centrosymmetric dimers.
ABSTRACT
The title compound, C(21)H(21)N(5)O(2), is a 1,4-dimethyl-1,2,3-triazole having dimethyl-benzodiazepindione and phenyl substituents on each methyl group; the substituents are positioned on opposite sides of the five-membered ring. The seven-membered fused-ring of the larger substituent adopts a boat-shaped conformation (with the methine C atom as the prow).
ABSTRACT
In the title compound, C(21)H(21)N(5)O(2)·H(2)O, the seven-membered ring adopts a boat-shaped conformation with the methine C atom as the prow. In the crystal, the water mol-ecule links adjacent mol-ecules by O-Hâ¯O and O-Hâ¯N hydrogen bonds into a zigzag chain running along the c axis of the monoclinic cell.
ABSTRACT
The imidazopyridine fused-ring in the title compound, C(20)H(16)BrN(3)O, is planar (r.m.s. deviation = 0.011â Å). The phenyl rings of the benzyl substitutents twist away from the central five-membered ring in opposite directions; the rings are aligned at 61.3â (1) and 71.2â (1)° with respect to this ring.
ABSTRACT
The imidazopyridine fused ring in the title compound, C(20)H(16)BrN(3)O·H(2)O, is coplanar with the aromatic ring at the 2-position [dihedral angle = 5.2â (1)°]. In the five-membered imidazo portion, the C-N bond whose C atom is also connected to the pyridine N atom has predominantly double-bond character [1.334â (2)â Å] whereas the C-N bond whose atom is connected to the pyridine C atom has predominantly single-bond character [1.371â (2)â Å]. The water mol-ecule engages in hydrogen bonding with the latter N atom; it is also connected to a symmetry-related water mol-ecule, generating a linear chain structure.
ABSTRACT
The title compound, C(26)H(24)N(2)O(2), features a benzene ring fused with a seven-membered diazepine ring; the latter ring adopts a boat conformation (with the allyl-dimethyl-amino-methyl-bearing C atom as the prow and the fused-ring C atoms as the stern).
ABSTRACT
The reaction of 1,5-dibenzyl-3-propargyl-1,5-benzodiazepine-2,4-dione with ethyl azido-acetate in the presence of copper sulfate pentahydrate and sodium ascorbate leads to the formation of the title regioisomer, C(30)H(29)N(5)O(4), which features a phenyl-ene ring fused with a seven-membered diazepinyl ring. The latter ring adopts a boat conformation (with the methyl-triazolylacetate-bearing C atom as the prow and the fused-ring C atoms as the stern). The benzyl groups connected to the diazepinyl ring jprotrude from the sides; the methyl-triazolylacetate substituent occupies an axial position.