ABSTRACT: In the title compound, C7H5BrN2, fused six-membered pyridine and five-membered pyrrole rings form the essentially planar aza-indole skeleton (r.m.s. deviation = 0.017?Å). In the crystal, pairs of N-H?N hydrogen bonds connect the mol-ecules into inversion dimers.
Project description:In the title compound, C(12)H(9)N(3), the dihedral angle between the pyridine and aza-indole rings is 6.20?(2)°. In the crystal, pairs of N-H?N hydrogen bonds link mol-ecules into inversion dimers.
Project description:The asymmetric unit of the title compound, C12H9N3, contains two independent mol-ecules in which the dihedral angle between the pyridine and aza-indole rings are 8.23?(6) and 9.89?(2)°. In the crystal, both types of mol-ecule are connected by pairs of N-H-N hydrogen bonds into inversion dimers.
Project description:The imidazopyridine ring system in the title compound, C(9)H(8)BrN(3)S, is almost planar [r.m.s. deviation of the C and N atoms = 0.007?(1)?Å]. The S and methyl-ene C atoms connected to the five-membered ring lie within this plane. The remaining two methyl-ene groups of the thia-zine ring are disordered over two sets of sites in a 0.817?(5):0.183?(5) ratio.
Project description:In the crystal, mol-ecules of the title compound, C(11)H(10)N(2)S, are connected by C-H?N inter-actions around threefold axes. Furthermore, they form stacks along the c axis showing ?-? inter-actions between pyrimidine rings [centroid-centroid distance = 3.721?(1)?Å]. The central ring is essentially planar with an r.m.s. deviation of 0.007?Å. The five-membered ring adopts an envelope conformation with the flap atom deviating by 0.241?(4)?Å from the mean plane (r.m.s. deviation = 0.002?Å) through the other four ring atoms.
Project description:The title compound, C(17)H(18)N(2)O(4), is the methyl ester of the adduct of intra-molecular Diels-Alder reaction between maleic anhydride and 1-(2-fur-yl)-2,3,4,5-tetra-hydro-1H-pyrrolo-[1,2-a][1,4]diazepine. The mol-ecule comprises a fused penta-cyclic system containing four five-membered rings (viz. pyrrole, 2-pyrrolidinone, tetra-hydro-furan and dihydro-furan) and one seven-membered ring (1,4-diazepane). The pyrrole ring is approximately planar (r.m.s. deviation = 0.003?Å) while the 2-pyrrolidinone, tetra-hydro-furan and dihydro-furan five-membered rings have the usual envelope conformations. The central seven-membered diazepane ring adopts a boat conformation. In the crystal, mol-ecules are bound by weak inter-molecular C-H?O hydrogen-bonding inter-actions into zigzag chains propagating in . In the crystal packing, the chains are stacked along the a axis.
Project description:In the two mol-ecules of the asymmetric unit of the title compound, C(12)H(11)N(3)O(4), the seven-membered diazepine ring adopts a boat conformation (with the two phenyl-ene C atoms representing the stern and the methine C atom the prow). The five-membered pyrrole ring, which has an envelope conformation, makes dihedral angles of 60.47?(10) and 54.69?(9)° with the benzene ring of the benzodiazepine unit in the two mol-ecules. In the crystal, inter-molecular N-H?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distance = 3.8023?(7)-3.8946?(7)?Å] lead to the formation of a three-dimensional framework.
Project description:The 12-membered cyclo-penta-[b]indole ring system in the title compound, C13H13NO2, deviates only slightly from planarity (r.m.s. deviation = 0.051?Å). In the crystal, N-H?O and O-H?O hydrogen bonds link the mol-ecules into sheets parallel to (100). The five-membered cyclopentanone ring is in slightly distorted envelope conformation with the C atom bearing the hydroxy substituent as the flap.
Project description:In the title compound, C(15)H(13)ClN(2)O, the phenyl group makes a dihedral angle of 7.91?(8)° with the pyrrole ring. The crystal structure forms a three-dimensional network stabilized by ?-? inter-actions [centroid-centroid distances = 3.807?(1)?Å] between the pyridine and phenyl rings and via inter-molecular C-H?O hydrogen bonds.
Project description:The totality of chemical space is so immense that only a small fraction can ever be explored. Computational searching has indicated that bioactivity is associated with a comparatively small number of ring-containing structures. Pyrrole, indole, pyridine, quinoline, quinazoline and related 6-membered ring-containing aza-arenes figure prominently. This review focuses on the search for fast, efficient and environmentally friendly preparative methods for these rings with specific emphasis on iminyl radical-mediated procedures. Oxime derivatives, particularly oxime esters and oxime ethers, are attractive precursors for these radicals. Their use is described in conventional thermolytic, microwave-assisted and UV-vis based preparative procedures. Photoredox-catalyzed protocols involving designer oxime ethers are also covered. Choice can be made amongst these synthetic strategies for a wide variety of 5- and 6-membered ring heterocycles including phenanthridine and related aza-arenes. Applications to selected natural products and bioactive molecules, including trispheridine, vasconine, luotonin A and rutaecarpine, are included.
Project description:In the title compound, C15H10ClN3O2, the benzene ring is slightly twisted out of the plane of the 2,3-di-hydro-1H-indole ring system (r.m.s. deviation = 0.007?Å), forming a dihedral angle of 7.4?(3)°. An intra-molecular N-H?O hydrogen bond forms a six-membered ring. In the crystal, mol-ecules are linked via N-H?O and C-H?O hydrogen bonds, forming layers alternately perpendicular to  and [0-11].