ABSTRACT: In the title molecule, C(6)H(6)N(4)S(2), a twofold rotation axis passes through the mid-point of the S-S bond. The C-S-S-C torsion angle is 83.62?(17)°. ?-? stacking between imidazole rings of adjacent mol-ecules is observed in the crystal structure, the centroid-centroid distance being 3.447?(2)?Å. Inter-molecular N-H?S hydrogen bonding results in the formation of a linear chain in the c-axis direction.
Project description:In the crystal structure of the title compound, C(11)H(10)N(2)O·H(2)O, the solvent water mol-ecule links the organic mol-ecules through O-H?O and O-H?N hydrogen bonds, forming chains that run diagonally across the bc face. These chains are connected to adjacent chains through weak C-H?O inter-actions, resulting in hydrogen-bonded sheets extending along the b and c axes. The sheets are connected along the a axis through ?-? inter-actions, with centroid-centroid distances of 3.7571?(9) and 3.7231?(9)?Å.
Project description:In the mol-ecule of the title compound, C(8)H(9)N(3), a new imidazoline derivative, the six- and five-membered rings are slightly twisted away from each other, forming a dihedral angle of 7.96?(15)°. In the crystal structure, neighbouring mol-ecules are linked together by inter-molecular N-H?N hydrogen bonds into extended one-dimensional chains along the a axis. The pyridine N atom is in close proximity to a carbon-bound H atom of the imidazoline ring, with an H?N distance of 2.70?Å, which is slightly shorter than the sum of the van der Waals radii of these atoms (2.75?Å). The crystal structure is further stabilized by inter-molecular C-H?? and ?-? inter-actions (centroid-to-centroid distance 3.853?Å).
Project description:In the title compound, C(23)H(22)N(4)O(4), the essentially planar [maximum deviation = 0.022?(1)?Å] benzimidazole ring system forms dihedral angles of 86.16?(7) and 37.38?(6)°, respectively, with the imidazole and benzene rings. The dioxolane ring adopts an envelope conformation with the methyl-ene C atom at the flap. In the crystal, C-H?O and C-H?N inter-actions link the mol-ecules into a ribbon along the a axis. The crystal packing is further stabilized by weak ?-? stacking inter-actions [centroid-centroid distances = 3.5954?(8) and 3.7134?(8)?Å] and C-H?? inter-actions.
Project description:In the title compound, C(8)H(12)N(4)O(4), the essentially planar methyl-carbamoyloxymethyl group [maximum deviation 0.038?(3)?Å] and the imidazole ring make a dihedral angle of 48.47?(3)°. The crystal packing is stabilized by inter-molecular N-H?N and C-H?O hydrogen bonds, which link the mol-ecules into infinite ribbons running along the a axis, and by weak ?-? stacking inter-actions [centroid-centroid distance = 3.894?(2)?Å].
Project description:In the crystal structure, the title compound, C(12)H(16)N(6)O(6), lies on an inversion centre. The mol-ecule has an anti-periplanar conformation with respect to the C-C bond of the central ethane unit and the two imidazole rings are parallel to each other. The dihedral angle between the imidazole ring and the mean plane of the C and O atoms of the bis-(eth-oxy)ethane group is 76.04?(6)°. The mol-ecules are stacked along the c axis through a weak C-H?O inter-action and a ??? inter-action between the imidazole rings with a centroid-centroid distance of 3.5162?(6)?Å. An intramolecular C-H?O hydrogen bond is also present.
Project description:In the mol-ecule of the title compound, C(12)H(10)N(4), the two imidazole substituents are related by inversion symmetry and each forms a dihedral angle of 25.02?(8)° with the benzene ring. In the crystal, mol-ecules are linked through N-H?N hydrogen bonds, forming cyclic units [graph-set R(4) (4)(28)], which generate a layered structure extending across (011).
Project description:In the distorted W-shaped mol-ecule of the title compound, C(17)H(12)N(6)O(3)S(2), a twofold axis passes through the carbonyl group. The mol-ecules stack in the crystal through ?-? inter-actions [centroid-centroid distance = 3.883?Å] and weak C-H?N hydrogen-bonding inter-actions, forming a three-dimensional architecture.
Project description:The title 1:1 co-crystal, C(7)H(7)NO(2)·C(10)H(8)N(2)S(2), features a highly twisted 4-(pyridin-4-yldisulfan-yl)pyridine mol-ecule [dihedral angle between the pyridine rings = 89.06?(10)°]. A small twist is evident in the 2-amino-benzoic acid mol-ecule, with the C-C-C-O torsion angle being -7.7?(3)°. An N-H?O hydrogen bond occurs in the 2-amino-benzoic acid mol-ecule. In the crystal, mol-ecules are linked by O-H?N and N-H?N hydrogen bonds into a supra-molecular chain along the b axis. These are connected into layers by ?-? inter-actions occurring between pyridine rings [centroid-centroid distance = 3.8489?(15)?Å]. The layers are connected along the a axis by C-H?O contacts. The crystal studied was a racemic twin.
Project description:The title salt, C13H11N2O2 (+)·C6H2N3O7 (-), is the unexpected product of a domino reaction of 3-cyano-methyl-1-methyl-imidazolium chloride with salicylic aldehyde in the presence of picric acid. In the cation, the 1H-imidazole ring is twisted by 63.2?(1)° from the 2H-chromen plane. In the crystal, cations and anions are alternately stacked along the a axis through ?-? stacking inter-actions between the almost parallel aromatic rings [centroid-centroid distances = 3.458?(2) and 3.678?(2)?Å]. The stacks are further linked by C-H?O hydrogen bonds into a two-tier layer parallel to (001).
Project description:In the title mononuclear zinc(II) complex, [Zn(C(8)H(7)O(2)S(2))(2)(C(4)H(6)N(2))(2)], the Zn(II) atom, lying on a twofold axis, is coordinated by two O atoms from two 2-(3,4-disulfanylphen-yl)acetate anions and by two N atoms from 2-methyl-imidazole ligands in a distorted tetra-hdral coordination. The crystal structure is stabilized by inter-molecular C-H?O and N-H?O hydrogen bonds and ?-? inter-actions with a centroid-centroid distance of 3.6136?(16)?Å.