Download citation
Download citation

link to html
In the title compound, C14H19N3S, the seven-membered cyclo­heptane ring adopts a chair conformation. An intra­molecular N—H...N hydrogen bond [graph-set motif S(5)] is present in the N—N—C—N chain between the ring systems. An intra­molecular C—H...S contact also occurs. In the crystal, pairs of mol­ecules form centrosymmetric dimers through N—H...S hydrogen bonds [graph-set R22(8)]. These dimers are connected by C—H...S inter­actions with an R22(14) motif.

Download citation
Download citation

link to html
In the title compound, C17H17N3O3S, the thia­zole ring is nearly planar [maximum deviation = 0.015 (1) Å for the ring N atom] and the cyclo­pentane ring has a twist conformation. The mol­ecular conformation is stabilized by a hypervalent inter­action between the S atom and the ester group carbonyl O atom, with an S...O distance of 2.7931 (10) Å. In the crystal, C—H...O inter­actions generate chains of mol­ecules propagating along [110] and π–π stacking inter­actions [centroid–centroid distance = 3.4677 (7) Å] between the thia­zole rings organize these chains into (001) layers.

Download citation
Download citation

link to html
In the title compound, C12H13N3S, the 4,5-di­hydro-3H-1,2,4-triazole system is nearly planar [maximum deviation = 0.014 (2) Å], while the cyclo­pentane ring adopts a half-chair conformation. The dihedral angle between the mean plane of the 4,5-di­hydro-3H-1,2,4-triazole-3-thione ring and the phenyl ring is 85.49 (14)°, with the S atom 0.046 (1) Å out of the former plane. The crystal structure is stabilized only by van der Waals inter­actions. The investigated crystal was found to be a non-merohedral two-component twin by a 180° rotation about c*, with a refined value of the minor twin fraction of 0.12203 (18).

Download citation
Download citation

link to html
In the title compound, C22H19N3O3S, the six-membered ring of the 1,2,3,4-tetra­hydro­naphthalene ring system adopts an envelope conformation with the central CH2 C atom as the flap. The mol­ecular conformation is stabilized by an S...O contact, forming a pseudo-five-membered ring. In the crystal, mol­ecules are linked via C—H...O hydrogen bonds into chains propagating along [102].

Download citation
Download citation

link to html
In the title compound, C22H19N4S+·Br·H2O, the dihedral angles between the phenyl groups and the mean plane of the thia­zolyl­idene ring are 34.69 (13) and 64.27 (13)°, respectively, while that between the thia­zolyl­idene and pyridinium rings is 14.73 (13)°. In the crystal, zigzag chains of alternating bromide ions and water mol­ecules associate through O—H...Br inter­actions run in channels approximately parallel to the b axis. These chains help form parallel chains of cations through N—H...O, C—H...N and C—H...Br hydrogen bonds.

Download citation
Download citation

link to html
The sample of the title compound, C12H15N3S, chosen for study consisted of triclinic crystals twinned by a 180° rotation about the a axis. The five-membered ring adopts a twisted conformation. The dihedral angle between the phenyl ring and the mean plane of the thio­urea unit is 78.22 (8)°. In the crystal, molecules are linked via pairs of N—H...S hydrogen bonds forming inversion dimers.

Download citation
Download citation

link to html
In the title compound, C14H17N3S, the plane of the phenyl ring makes a dihedral angle of 74.90 (4)° with that of the tri­aza­thione ring (r.m.s. deviation = 0.001 Å), while the seven-membered ring adopts a twist-chair conformation. No specific intermolecular interactions are discerned in the crystal packing.

Download citation
Download citation

link to html
In the title compound, C23H20N3OS+·Br, the di­hydro­thia­zole ring (r.m.s. deviation = 0.015 Å) is twisted with respect to each of the C- and N-bound phenyl rings and the hy­droxy­benzene ring, making dihedral angles of 76.0 (2), 71.2 (2) and 9.8 (2)°, respectively. In the crystal, inversion-related mol­ecules are linked by association of the bromide ions with the cations via N—H...Br and O—H...Br hydrogen-bonding inter­actions. These mol­ecules run in channels parallel to the a axis through face-to-face π–π stacking inter­actions between the hy­droxy­benzene rings [centroid–centroid distances = 3.785 (3) Å] which, in turn, are connected into layers parallel to (110) by weak C—H...π inter­actions. A small region of electron density well removed from the main mol­ecule and appearing disordered over a center of symmetry was removed with PLATON SQUEEZE [Spek (2009). Acta Cryst. D65, 148–15] following unsuccessful attempts to model it as plausible solvent molecule. The nature of the solvent was not known and hence, this is not taken into account when calculating Mr and related data.

Download citation
Download citation

link to html
In the title compound, C20H18BrN3S, the cyclo­pentane ring adopts a half-chair conformation. The 4-bromo­phenyl and phenyl rings make dihedral angles of 34.6 (1) and 68.52 (6)°, respectively, with the di­hydro­thia­zole ring. In the crystal, the mol­ecules pack in sheets approximately parallel to (101) which are formed by weak C—H...Br inter­actions

Download citation
Download citation

link to html
In the title mol­ecule, C17H15N3S, the phenyl group makes a dihedral angle of 57.29 (11)° with the mean plane of the triazole ring, which in turn makes an angle of 86.83 (12)° with the plane of the aromatic portion of the tetra­hydro­naphthalene moiety. In the crystal, mol­ecules are linked by weak C—H...S hydrogen bonds into supra­molecular chains propagating along the a-axis direction. Weak C—H...π inter­actions are also observed.

Download citation
Download citation

link to html
The asymmetric unit of the title compound, C10H17N3S, consists of three symmetry-independent mol­ecules with distinctly different conformations, as indicated for example by the C—N—C—C torsion angles of −155.9 (3), 89.9 (3) and 81.1 (4)° along the bond between thio­urea and allyl units. In the crystal, mol­ecules are connected via N—H...N and N—H...S hydrogen bonds into chains extending along [110] that are further associated through C—H...N inter­actions into layers parallel to (001). The allyl group in one of the independent mol­ecules is disordered over two sets of sites with an occupancy ratio of 0.853 (6):0.147 (6).

Download citation
Download citation

link to html
The asymmetric unit of the title compound, C16H12ClN3S, contains two independent mol­ecules whose conformations differ primarily in the orientations of the phenyl and chloro­benzene rings with respect to the thia­zole ring. In the first mol­ecule, the dihedral angles are 3.0 (1) and 9.2 (1)°, respectively, for the phenyl ring and the chloro­benzene ring, while in the second mol­ecule, the corresponding angles are 18.6 (1) and 23.4 (1)°. In the crystal, the two independent mol­ecules are associated via complementary N—H...N hydrogen bonds into a dimer. These dimers are associated through weak C—H...Cl and C—H...S inter­actions into supra­molecular chains propagating along the a-axis direction.
Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds