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
The title compound, C15H14O2, adopts an E configuration about the C=C double bond. The furan ring is inclined to the phenyl ring by 12.03â (9)°. In the crystal, pairs of mol-ecules are linked by C-Hâ¯O hydrogen bonds, forming dimers with R 2 2(14) ring motifs. The mol-ecules are connected via C-Hâ¯π inter-actions, forming a three dimensional network. No π-π inter-actions are observed.
RESUMO
In the title compound, C31H44O5, mol-ecules are connected by O-Hâ¯O and C-Hâ¯O hydrogen bonds, forming hydrogen-bonded zigzag chains running along the b axis and parallel to the (001) plane. The mol-ecular packing is stabilized by van der Waals inter-actions between these chains along the a and c axes. The inter-molecular inter-actions in the crystal structure were qu-anti-fied and analysed using Hirshfeld surface analysis.
RESUMO
In the title compound, C16H11BrN6O·2C2H6OS, the 1,2,3,7-tetra-hydro-imid-azo[1,2-a]pyridine ring system and the oxindole moiety are both nearly planar [maximum deviations = 0.042â (2) and 0.115â (2)â Å, respectively] and their planes form a dihedral angle of 86.04â (5)° with each other. Inter-molecular N-Hâ¯O, C-Hâ¯O and C-Hâ¯N hydrogen bonds link mol-ecules in the crystal through the O atoms of the solvent mol-ecules, generating a three-dimensional network. A Hirshfeld surface analysis was performed to further analyse the inter-molecular inter-actions.
RESUMO
The title compound, 2C16H27NO·H2O, crystallizes in the monoclinic P21/c space group with two independent mol-ecules (A and B) in the asymmetric unit. In the crystal, mol-ecules A and B are linked through the water mol-ecules by inter-molecular O-Hâ¯O and O-Hâ¯N hydrogen bonds, producing chains along the b-axis direction. These chains are linked with neighboring chains parallel to the (103) plane via C-Hâ¯π inter-actions, generating ribbons along the b-axis direction. The stability of the mol-ecular packaging is ensured by van der Waals inter-actions between the ribbons. According to the Hirshfeld surface study, Hâ¯H inter-actions are the most significant contributors to the crystal packing (80.3% for mol-ecule A and 84.8% for mol-ecule B).
RESUMO
In the mol-ecular structure of the title compound, C16H13Cl2N5, the 1,4-di-hydro-pyridine ring of the 1,3,4,8-tetra-hydro-2H-pyrido[1,2-a]pyrimidine ring system adopts a screw-boat conformation, while the 1,3-diazinane ring is puckered. In the crystal, inter-molecular N-Hâ¯N and C-Hâ¯N hydrogen bonds form mol-ecular sheets parallel to the (110) and (10) planes, crossing each other. Adjacent mol-ecules are further linked by C-Hâ¯π inter-actions, which form zigzag chains propagating parallel to [100]. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from Nâ¯H/Hâ¯N (28.4%), Hâ¯H (24.5%), Câ¯H/Hâ¯C (21.4%) and Clâ¯H/Hâ¯Cl (16.1%) contacts.
RESUMO
In the title compound, C25H20O2, the central cyclo-hexenone ring adopts an envelope conformation. The mean plane of the cyclo-hexenone ring makes dihedral angles of 87.66â (11) and 23.76â (12)°, respectively, with the two attached phenyl rings, while it is inclined by 69.55â (11)° to the phenyl ring of the benzoyl group. In the crystal, the mol-ecules are linked by C-Hâ¯O and C-Hâ¯π inter-actions, forming a three-dimensional network.