ABSTRACT: In the title mol-ecule, C21H20BrClN6O2, the chloro-substituted benzene ring forms a dihedral angle of 77.84?(7)° with the tetra-zole ring and the bromo-substituted ring forms a dihedral angle of 43.95?(6)° with the imidazole ring. The dihedral angle between the tetra-zole and imidazole rings is 67.42?(8)°. The terminal methyl group of the butyl substituent is disordered over two sets of sites, with refined occupancies 0.67?(3) and 0.33?(3). In the crystal, there is a short Br?N contact of 3.183?(2)?Å.
Project description:In the title compound, C(10)H(8)N(6), the tetra-zole and benzene rings are close to being coplanar [dihedral angle = 9.90?(16)°], but the imidazole ring is rotated 37.18?(09)° out of the benzene plane. In the crystal, mol-ecules are connected through tetra-zole-imidazole N-H?N hydrogen bonds, giving rise to zigzag chains, which extend along .
Project description:In the title compound, C(10)H(8)N(6)·2H(2)O, the central aromatic ring makes dihedral angles of 23.59?(15) and 16.99?(16)° with the terminal imidazole and tetra-zole rings, respectively, which are themselves almost coplanar [dihedral angle = 6.61?(18)°]. Two H atoms of the two water mol-ecules are half occupied. In the crystal packing, weak inter-molecular O-H?N, O-H?O and N-H?N hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distances of 3.73?(4)?Å between benzene rings and 3.66?(3)?Å between imidazole and tetra-zole rings] are observed.
Project description:In the title compound, C29H19F3N2O, a phenanthroline-fused imidazole tetra-cyclic system, the fused benzene rings deviate slightly from the central ring and make dihedral angles with this ring of 3.47?(8) and 3.05?(8)°. The tri-fluoro-methyl-phenyl ring is roughly coplanar with the phenanthroline-fused imidazole tetra-cyclic system [dihedral angle = 11.02?(6)°], while the meth-oxy-phenyl ring is almost perpendicular [dihedral angle = 87.65?(6)°]. There are intra-molecular C-H ?? inter-actions involving the meth-oxy-phenyl ring and the central phenanthroline ring, as well as an inter-molecular C-H?? inter-action involving the phenanthroline ring. In addition, there is an inter-molecular ?-? inter-action involving the central phenanthroline ring and the tri-fluoro-methyl-phenyl ring [centroid-centroid distance = 3.685?(2)?Å], as well as C-H?N inter-actions linking the mol-ecules into dimers.
Project description:The crystal structure of the title compound, C(15)H(11)FN(6)S, forms a three-dimensional network stabilized by ?-? inter-actions between the imidazole core and the tetra-zole ring of the tetra-zolopyridine-unit; the centroid-centroid distance is 3.627?(1)?Å. The crystal structure also displays bifurcated N-H?(N,N) hydrogen bonding and C-H?F inter-actions. The former involve the NH H atom of the imidazole core and the tetra-zolopyridine N atoms, while the latter involve a methyl H atom, of the methyl-sulfanyl group, and the 4-fluoro-phenyl F atom. In the mol-ecule, the imidazole ring makes dihedral angles of 40.45?(9) and 17.09?(8)°, respectively, with the 4-fluoro-phenyl ring and the tetra-zolopyridine ring mean plane.
Project description:In the title compound, C(8)H(7)N(5)O(2), the benzene ring makes a dihedral angle of 45.7?(2)° with the tetra-zole ring. In the crystal structure, the mol-ecules are linked into a chain running along the a axis by N-H?N hydrogen bonds, and the chains are linked through ?-? inter-actions between the tetra-zole rings [centroid-centroid distance = 3.450?(2)?Å].
Project description:The title compound, C10H10N4O3, was synthesized by the esterification of hy-droxy-phenyl tetra-zole. There is an intra-molecular O-H?N hydrogen bond present involving the hy-droxy group and the tetra-zole ring. The tetra-zole ring is inclined to the phenol ring by 2.85?(13)°, while the methyl acetate group is almost normal to the tetra-zole ring, making a dihedral angle of 82.61?(14)°. In the crystal, mol-ecules are linked by pairs of C-H?O hydrogen bonds, forming inversion dimers. Within the dimers, the phenol rings are linked by offset ?-? inter-actions [inter-centroid distance = 3.759?(2)?Å]. There are no further significant inter-molecular inter-actions present in the crystal. The hy-droxy group is disordered about positions 2 and 6 on the benzene ring, with a refined occupancy ratio of 0.531?(5):0.469?(5).
Project description:In the title compound, C(14)H(10)N(6), the pyridine and tetra-zole rings are nearly coplanar and are twisted from each other by a dihedral angle of only 0.86?(9)°. The benzene ring makes a dihedral angle of 70.55?(6)° with the tetra-zole ring.
Project description:In the title compound, C(8)H(7)N(5)O(2), the benzene ring makes a dihedral angle of 38.27?(11)° with the tetra-zole ring. The crystal structure is stabilized by N-H?N hydrogen bonds, forming an infinite one-dimensional chain parallel to the a axis.
Project description:The title compound, C(15)H(9)BrN(2)S, was prepared by the reaction of 1-bromo-2-(2,2-dibromo-vin-yl)benzene with 1H-benzo[d]imidazole-2(3H)-thione. The thia-zolo[3,2-a]benz-imidazole fused-ring system is nearly planar, the maximum atomic deviation being 0.049?(4)?Å. This mean plane is oriented at a dihedral angle of 71.55?(17)° with respect ot the bromo-phenyl ring. ?-? stacking is observed in the crystal structure, the centroid-centroid distance between the thia-zole and imidazole rings of adjacent mol-ecules being 3.582?(2)?Å.
Project description:The title compound, C(22)H(28)N(8)Si, has crystallographic 2 symmetry with the Si atom located on a twofold rotation axis. The tetra-zole ring is oriented at a dihedral angle of 5.32?(18)° with respect to the benzene ring. A C-H?? inter-action occurs between adjacent mol-ecules in the crystal structure.