ABSTRACT: The title compound, C(4)H(2)INO(2)S, was synthesized by nitration of iodo-thio-phene with acetyl nitrate. The molecule is essentially planar, withthe nitro group tilted by 1.78?(19)° and the iodine atom displaced by 0.0233?(2)?Å with respect to the thiophene ring. In the crystal structure, adjacent mol-ecules are linked through weak I?O inter-actions [3.039?(2)Å], forming chains extending along the b axis.
Project description:The reaction of 2-amino-ethanol and iodo-penta-fluoro-benzene in the presence of K(2)CO(3) gave the title compound, C(8)H(6)F(4)INO, in high yield. The structure is characterized by double layers of mol-ecules linked by O-H?O and N-H?O hydrogen bonds, and linear C-I?F [I?F = 3.049?(2)?Å] and bent C-I?I [I?I = 3.9388?(7)?Å] inter-actions between pairs of nearly parallel iodo-tetra-fluoro-phenyl groups. No O?I or N?I halogen bonding is found.
Project description:In the title compound, C(14)H(8)INO(2), the dihedral angle between the isoindole ring and the phenyl ring of the 1-iodo-benzene group is 84.77?(15)°. There is a short inter-molecular I?O contact of 3.068?(3)?Å in the crystal.
Project description:In the title mol-ecule, C(17)H(12)INO, the dihedral angle between the naphthaldeyde plane and the 3-iodo-aniline plane is20.07?(13)°. It exists in the solid state as an enol-imine tautomer with a strong intra-molecular O-H?N hydrogen bond.
Project description:In the title compound, C22H14S, the r.m.s. deviation from the mean plane of the four-fused-ring naphtho-thio-phene unit is 0.056?Å. The dihedral angle between the naphtho-thio-phene plane and the pendant phenyl ring is 67.24?(6)°. In the crystal, weak C-H?? and ?-? stacking [minimum centroid-centroid separation = 3.7466?(10)?Å] inter-actions are observed, which together lead to (010) sheets.
Project description: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 0.1003?(5)?Å from the mean plane of the ten C atoms [maximum deviation = 0.018?(6)?Å]. In the crystal, there are no significant inter-molecular inter-actions present.
Project description:In the title mol-ecule, C16H28O2S, the two n-hexyl groups are in all-trans conformations. Their C atoms are situated close to the plane of the thio-phene ring with a maximum deviation of 0.718?(6)?Å for one of the terminal methyl groups. In the crystal, a short C-H?O contact is observed between thio-phene 1,1-dioxide groups.
Project description:In the title compound, C(19)H(14)OS, the naphtho-thio-phene moiety is almost planar except for the S atom of the five-membered ring, which is situated 0.047?(6)?Å out of the C(4) plane (with an r.m.s. deviation of fitted atoms = 0.0009?Å). The dihedral angle between the naphtho-thio-phene plane and the attached meth-oxy-phenyl ring is 67.6?(2)°. In the crystal, a C-H?? inter-action is observed between a meth-oxy-phenyl C-H group and the outer benzene ring of the naphtho-thio-phene moiety. The five-membered ring of the naphtho-thio-phene moiety is disordered, with the S and opposite non-fused C atom approximately exchanging positions, with a site-occupancy factors of 0.808?(3) and 0.187?(3).
Project description:The title compound, C(9)H(7)IN(+)·Cl(-)·2H(2)O, was obtained during the synthesis of 8-iodo-quinoline from 8-amino-quinoline using the Sandmeyer reaction. The 8-iodo-quinolinium ion is almost planar. Solvent water mol-ecules and chloride ions form a hydrogen-bonded chain along the c axis via O-H?Cl links. The 8-iodo-quinolinium ions, which are packed along the c axis with cationic aromatic ?-? stacking (centroid-centroid distance = 3.624?Å), are linked to the chain via N-H?O hydrogen bonds.
Project description:In the title compound, C11H7N3S, the thio-phene and pyridine rings are coplanar, forming a dihedral angle of 3.89?(7)°. The conformation about the C=N bond [1.2795?(18)?Å] is E. In the crystal, translationally related mol-ecules along the a axis form weak ?-? inter-actions [centroid-centroid distance = 3.8451?(8)?Å] between the thio-phene rings.
Project description:In the title compound, C16H17NO3S, a thio-phene derivative with amino phenyl, acetyl, methyl and ethyl carboxyl susbtituents attached to a central thio-phene ring, the phenyl and thio-phene rings form a dihedral angle of 36.92?(9)?Å. The mol-ecular conformation is stabilized by an intra-molecular N-H?O hydrogen bond, which forms an S(6) ring motif.