ABSTRACT
The title compound, C8H8O2S2, contains a cyclo-hexane-1,3-dione ring, which has a twist-boat conformation. The C2S2 ring is close to planar (r.m.s. deviation = 0.023â Å) and the dihedral angle between the mean planes of the cyclo-hexane and 1,3-dithietane rings is 9.1â (3)°. Short intra-molecular Sâ¯O contacts occur [2.719â (5) and 2.740â (5)â Å]. In the crystal, the mol-ecules are linked by weak C-Hâ¯S hydrogen bonds and short [3.165â (5)â Å] Sâ¯O contacts, forming (010) layers. The prevalence of these inter-actions is illustrated by an analysis of the three-dimensional Hirshfeld surface and by two-dimensional fingerprint plots.
ABSTRACT
In the title compound, C7H7Br2N, the C-C-C bond angles of the benzene ring are notably distorted and two short intamolecular N-Hâ¯Br contacts occur. In the crystal, the mol-ecules are linked by N-Hâ¯N hydrogen bonds to generate C(2) chains propagating in the [100] direction.
ABSTRACT
[This corrects the article DOI: 10.1107/S2056989018007867.].
ABSTRACT
The title compounds, 2,6-di-iodo-4-nitro-toluene (DINT, C7H5I2NO2) and 2,4,6-tri-bromo-toluene (TBT, C7H5Br3,), are tris-ubstituted toluene mol-ecules. Both mol-ecules are planar, only the H atoms of the methyl group, and the nitro group in DINT, deviate significantly from the plane of the benzene ring. In the crystals of both compounds, mol-ecules stack in columns up the shortest crystallographic axis, viz. the a axis in DINT and the b axis in TBT. In the crystal of DINT, mol-ecules are linked via short N-Oâ¯I contacts, forming chains along [100]. In TBT, mol-ecules are linked by C-Hâ¯Br hydrogen bonds, forming chains along [010]. Hirshfeld surface analysis was used to explore the inter-molecular contacts in the crystals of both DINT and TBT.
ABSTRACT
In the title compound, [Cu(C16H8Br3N2O)2]·C2H6OS, the CuII atom is tetra-coordinated in a square-planar coordination, being surrounded by two N atoms and two O atoms from two N,O-bidentate (E)-1-[(2,4,6-tri-bromo-phen-yl)diazen-yl]naphthalen-2-olate ligands. The two N atoms and two O atoms around the metal center are trans to each other, with an O-Cu-O bond angle of 177.90â (16)° and a N-Cu-N bond angle of 177.8â (2)°. The average distances between the CuII atom and the coordinated O and N atoms are 1.892â (4) and 1.976â (4)â Å, respectively. In the crystal, complexes are linked by C-Hâ¯O hydrogen bonds and by π-π inter-actions involving adjacent naphthalene ring systems [centroid-centroid distance = 3.679â (4)â Å]. The disordered DMSO mol-ecules inter-act weakly with the complex mol-ecules, being positioned in the voids left by the packing arrangement of the square-planar complexes. The DMSO solvent mol-ecule is disordered over two positions with occupancies of 0.70 and 0.30.
ABSTRACT
The title compound, C11H9NO3, contains an isoxazole and a hy-droxy-benzyl-idene ring, which are inclined to each another by 3.18â (8)°. There is an intra-molecular C-Hâ¯O contact forming an S(7) ring. In the crystal, mol-ecules stack head-to-tail in columns along the b-axis direction, linked by offset π-π inter-actions [inter-centroid distances of 3.676â (1) and 3.723â (1)â Å]. The columns are linked by O-Hâ¯O and O-Hâ¯N hydrogen bonds, forming layers parallel to the ab plane. The layers are linked by C-Hâ¯O hydrogen bonds, forming a supra-molecular three-dimensional framework. An analysis of the Hirshfeld surfaces points to the importance of the O-Hâ¯O and O-Hâ¯N hydrogen bonding in the packing mechanism of the crystal structure.
ABSTRACT
In the title compound, C9H10N2O4, the planes of the nitro groups subtend dihedral angles of 55.04â (15) and 63.23â (15)° with that of the aromatic ring. These tilts are in opposite senses and the mol-ecule possesses approximate mirror symmetry about a plane normal to the mol-ecule. In the crystal, mol-ecules form stacks in the [100] direction with adjacent mol-ecules related by translation, although the centroid-centroid separation of 4.136â (5)â Å is probably too long to regard as a significant aromatic π-π stacking inter-action. An extremely weak C-Hâ¯O inter-action is also present.
ABSTRACT
The title compound, C5H4Cl2N2, is essentially planar with an r.m.s. deviation for all non-H atoms of 0.009â Å. The largest deviation from the mean plane is 0.016â (4)â Å for an N atom. In the crystal, mol-ecules are linked by pairs of C-Hâ¯N hydrogen bonds, forming inversion dimers, enclosing an R (2) 2(6) ring motif.
ABSTRACT
THE TITLE COMPOUND (SYSTEMATIC NAME: 1-iodo-2,3,5,6-tetra-methyl-benzene), C10H13I, crystallizes in the chiral space group P212121. The I atom is displaced by 0.1003â (5)â Å from the mean plane of the ten C atoms [maximum deviation = 0.018â (6)â Å]. In the crystal, there are no significant inter-molecular inter-actions present.