RESUMO
In the title compound, C19H17NO5S, the cyclo-hexene ring adopts nearly an envelope conformation. In the crystal, mol-ecules are linked by C-Hâ¯O hydrogen bonds, forming a three-dimensional network. In addition, C-Hâ¯π inter-actions connect the mol-ecules by forming layers parallel to the (010) plane. According to the Hirshfeld surface analysis, Hâ¯H (36.9%), Oâ¯H/Hâ¯O (31.0%), Câ¯H/Hâ¯C (18.9%) and Sâ¯H/Hâ¯S (7.9%) inter-actions are the most significant contributors to the crystal packing.
RESUMO
In the title compound, C6H8N2OS, all atoms except for the methyl H atoms are coplanar, with a maximum deviation of 0.026â (4)â Å. In the crystal, pairs of mol-ecules are linked by N-Hâ¯N hydrogen bonds, forming R 2 2(8) ring motifs. Dimers are connected by N-Hâ¯O hydrogen bonds, forming layers parallel to the (102) plane. Consolidating the mol-ecular packing, these layers are connected by C-Hâ¯π inter-actions between the center of the 1,3-thia-zole ring and the H atom of the methyl group attached to it, as well as C=Oâ¯π inter-actions between the center of the 1,3-thia-zole ring and the O atom of the carboxyl group. According to a Hirshfeld surface study, Hâ¯H (37.6%), Oâ¯H/Hâ¯O (16.8%), Sâ¯H/Hâ¯S (15.4%), Nâ¯H/Hâ¯N (13.0%) and Câ¯H/Hâ¯C (7.6%) inter-actions are the most significant contributors to the crystal packing.
RESUMO
In the hydrated title salt, C7H12N5S2 +·Cl-·H2O, the asymmetric unit comprises one 2-amino-5-{(1E)-1-[(carbamo-thioyl-amino)-imino]-eth-yl}-4-methyl-1,3-thia-zol-3-ium cation, one chloride anion and one water mol-ecule of crystallization. The cation is nearly flat (r.m.s. deviation of non-H atoms is 0.0814â Å), with the largest deviation of 0.1484â (14)â Å observed for one of the methyl C atoms. In the crystal, the cations are linked by O-Hâ¯Cl, N-Hâ¯Cl, N-Hâ¯O, N-Hâ¯S and C-Hâ¯S hydrogen bonds, forming a tri-periodic network. The most important contributions to the crystal packing are from Hâ¯H (35.4%), Sâ¯H/Hâ¯S (24.4%), Nâ¯H/Hâ¯N (8.7%), Clâ¯H/Hâ¯Cl (8.2%) and Câ¯H/Hâ¯C (7.7%) inter-actions.
RESUMO
The central tetra-hydro-pyridine ring of the title compound, C19H17N3O2, adopts a screw-boat conformation. In the crystal, strong C-Hâ¯O and N-Hâ¯N hydrogen bonds form dimers with R 2 2(14) and R 2 2(12) ring motifs, respectively, between consecutive mol-ecules along the c-axis direction. Inter-molecular N-Hâ¯O and C-Hâ¯O hydrogen bonds connect these dimers, forming a three-dimensional network. C-Hâ¯π inter-actions and π-π stacking inter-actions contribute to the stabilization of the mol-ecular packing. A Hirshfeld surface analysis indicates that the contributions from the most prevalent inter-actions are Hâ¯H (47.1%), Câ¯H/Hâ¯C (20.9%), Oâ¯H/Hâ¯O (15.3%) and Nâ¯H/Hâ¯N (11.4%).
RESUMO
In the title compound, C25H22N2O3S·0.04H2O, the central cyclo-hexane ring adopts a chair conformation. In the crystal, mol-ecules are linked by N-Hâ¯O, C-Hâ¯O, and C-Hâ¯N hydrogen bonds, forming the mol-ecular layers parallel to the bc plane, which inter-act by the van der Waals forces between them. A Hirshfeld surface analysis indicates that the contributions from the most prevalent inter-actions are Hâ¯H (41.2%), Câ¯H/Hâ¯C (20.3%), Oâ¯H/Hâ¯O (17.8%) and Nâ¯H/Hâ¯N (10.6%).
RESUMO
In the title compound, C21H24BrNO4, the dihedral angle between the heterocyclic ring and the pendant aromatic ring is 80.20â (13)°. The hexahydroquinone [i.e. the one with the C=O group] ring adopts a sofa conformation. An intra-molecular O-Hâ¯O hydrogen bond generates an S(6) ring motif. The ethyl group is disordered over two sets of sites with a refined site occupancy ratio of 0.633â (10):0.366â (10). In the crystal, mol-ecules are linked by N-Hâ¯O inter-actions, forming chains parallel to [101]. There are no significant C-Hâ¯π or π-π inter-actions in the crystal structure.
RESUMO
In the title compound, C(21)H(25)NO(3), the hydro-pyridine ring that constitutes a part of the hexa-hydro-quinoline fused-ring system adopts a sofa conformation; the methine C atom deviates from the least-squares plane defined by the remaining five non-H atoms (r.m.s. deviation = 0.088â Å) by 0.454â (3)â Å. The phenyl ring is aligned at 85.5â (1)° with respect to this mean plane. In the crystal, adjacent molecules are linked via an N-Hâ¯O hydrogen bond, involving the amino group and the carbonyl O atom of the fused-ring system, forming chains running along [100]. The ethyl group is disordered over two positions in a 0.609â (6):0.391â (6) ratio.