ABSTRACT: 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:The title compound, C(16)H(15)N(3)O(2)S, was synthesized by the reaction of 2-amino-5,6,7,8-tetra-hydro-4H-cyclo-hepta-[b]thio-phene-3-carbonitrile and o-fluoro-nitro-benzene. The thio-phene and nitro-phenyl rings and amino and carbonitrile groups are coplanar with a maximum deviation of 0.046?(2)?Å and a dihedral angle of 0.92?(6)° between the rings. The cyclo-hepta ring adopts a chair conformation. Intra-molecular N-H?O and C-H?S inter-actions occur. In the crystal, the mol-ecules form layers that are linked by ?-? stacking inter-actions between the thio-phene and benzene rings [centroid-centroid distances = 3.7089?(12) and 3.6170?(12)?Å].
Project description:In the title compound, C(11)H(12)O(2)S, the C and S atoms of the central thio-phene and the methyl groups, and the two carbonyl groups of the cyclo-hepta-nedione are almost coplanar [maximum deviation from the mean plane = 0.221?(2)?Å]. The packing is stabilized by ?-? inter-actions between the conjugated thio-phenes, the shortest centroid-centroid distance between thio-phene rings being 3.9759?(10)?Å.
Project description:The reaction of thio-phene-3-carboxaldehyde and perfluoro-benzyl-triphenyl-phospho-nium bromide in the presence of sodium hydride gave the title compound, C(12)H(5)F(5)S, in 70% yield. The thiophene and perfluorophenyl groups form a dihedral angle of 5.4?(2)°. The structure is characterized by a head-to-tail organization in a columnar arrangement due to ?-? inter-actions between the thio-phene and penta-fluoro-phenyl rings with centroid-centroid distances in the range 3.698?(2)-3.802?(2)?Å.
Project description:In the title compound, C14H13N3O2S, the dihedral angle between the thio-phene and phenyl rings is 24.95?(8)°. The mol-ecular structure is consolidated by intra-molecular N-H?O and C-H?S inter-actions. The crystal structure features N-H?N and N-H?O hydrogen bonds forming centrosymmetric R 2 (2)(12) dimers, which are linked into a two-dimensional network parallel to (011) with an S(6)R 2 (2) S(6) motif. In addition, ?-? stacking inter-actions [centroid-centroid distance = 3.7013?(12)?Å] occur between the thio-phene and phenyl rings of adjacent mol-ecules.
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, C(9)H(10)N(2)S, was synthesized according to Gewald procedures by the reaction of cyclo-hexa-none with malonitrile and sulfur in the presence morpholine. The cyclo-hexane ring adopts a half-chair conformation and the thio-phene ring is essentially planar (r.m.s. deviation = 0.05?Å). The crystal packing is stabilized by two inter-molecular N-H?N hydrogen bonds, which link the mol-ecules into centrosymmetric rings with graph-set motif R(2) (2)(12).
Project description:In the crystal structure of the title compound, C(15)H(16)N(2)O(5)S, the azomethine adopts the E configuration. The two heterocyclic rings adopt an anti-periplanar orientation. The mean planes of the thio-phene and furan rings are twisted by 2.51?(4)°. The crystal structure exhibits inter-molecular N-H?O hydrogen bonding. ?-? stacking is also observed, the centroid-to-centroid distance being 3.770?(4)?Å.
Project description:The mol-ecule of the title compound, C(10)H(9)N(3)S, is almost planar, with a dihedral angle of 1.38?(4)° between the thio-phene and pyridine rings. In the crystal packing, mol-ecules are linked into layers parallel to the ab plane by inter-molecular N-H?N hydrogen bonds and by ??? stacking inter-actions involving adjacent pyridine and thio-phene rings with a centroid-centroid distance of 3.537?(3)?Å.
Project description:In the title compound, C(25)H(14)ClN(3)OS(2), the central thio-phene ring [maximum deviation = 0.011?(1)?Å] makes dihedral angles of 55.72?(5), 13.36?(5) and 46.77?(4)° with the adjacent chloro-substituted benzene ring, the benzene ring and the 1,3-benzothia-zole ring system [maximum deviation = 0.012?(1)?Å], respectively. An intra-molecular C-H?S(thienyl) hydrogen bond generates an S(6) ring motif in the mol-ecule. In the crystal, mol-ecules are linked by pairs of N-H?N hydrogen bonds into inversion dimers and the dimers are further connected by C-H?O hydrogen bonds into tapes running along . Aromatic ?-? stacking inter-actions are also observed [centroid-to-centroid distances = 3.6116?(6) and 3.7081?(6)?Å].
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.