Crystal structure and Hirshfeld surface analysis of 1-(2-amino-4-methyl-1,3-thia-zol-5-yl)ethan-1-one.

In the title compound, C6H8N2OS, all atoms except for the methyl H atoms are coplanar, with a maximum deviation of 0.026 (4) Å. In the crystal, pairs of mol-ecules are linked by N-H⋯N hydrogen bonds, forming R 2 2(8) ring motifs. Dimers are connected by N-H⋯O hydrogen bonds, forming layers parallel to the (102) plane. Consolidating the mol-ecular packing, these layers are connected by C-H⋯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=O⋯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, H⋯H (37.6%), O⋯H/H⋯O (16.8%), S⋯H/H⋯S (15.4%), N⋯H/H⋯N (13.0%) and C⋯H/H⋯C (7.6%) inter-actions are the most significant contributors to the crystal packing.

Crystal structure and Hirshfeld surface analysis of (E)-1-(2,4-di-methyl-furan-3-yl)-3-phenyl-prop-2-en-1-one.

The title compound, C15H14O2, adopts an E configuration about the C=C double bond. The furan ring is inclined to the phenyl ring by 12.03 (9)°. In the crystal, pairs of mol-ecules are linked by C-H⋯O hydrogen bonds, forming dimers with R 2 2(14) ring motifs. The mol-ecules are connected via C-H⋯π inter-actions, forming a three dimensional network. No π-π inter-actions are observed.

Crystal structure and Hirshfeld surface analysis of 2,2'-[(3,5-di-tert-butyl-4-hy-droxy-phen-yl)methanedi-yl]bis-(3-hy-droxy-5,5-di-methyl-cyclo-hex-2-en-1-one).

In the title compound, C31H44O5, mol-ecules are connected by O-H⋯O and C-H⋯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.

Crystal structure and Hirshfeld surface analysis of 5-amino-5'-bromo-2'-oxo-2,3-di-hydro-1H-spiro-[imidazo[1,2-a]pyridine-7,3'-indoline]-6,8-dicarbo-nitrile dimethyl sulfoxide disolvate.

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 = 0.042 (2) and 0.115 (2) Å, respectively] and their planes form a dihedral angle of 86.04 (5)° with each other. Inter-molecular N-H⋯O, C-H⋯O and C-H⋯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.

Crystal structure and Hirshfeld surface analysis of 1-(tert-butyl-amino)-3-mesitylpropan-2-ol hemi-hydrate.

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-H⋯O and O-H⋯N hydrogen bonds, producing chains along the b-axis direction. These chains are linked with neighboring chains parallel to the (103) plane via C-H⋯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, H⋯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).

Crystal structure and Hirshfeld surface analysis of 6-amino-8-(2,6-di-chloro-phen-yl)-1,3,4,8-tetra-hydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbo-nitrile.

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-H⋯N and C-H⋯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-H⋯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 N⋯H/H⋯N (28.4%), H⋯H (24.5%), C⋯H/H⋯C (21.4%) and Cl⋯H/H⋯Cl (16.1%) contacts.

Crystal structure and Hirshfeld surface analysis of 6-benzoyl-3,5-di-phenyl-cyclo-hex-2-en-1-one.

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 87.66 (11) and 23.76 (12)°, respectively, with the two attached phenyl rings, while it is inclined by 69.55 (11)° to the phenyl ring of the benzoyl group. In the crystal, the mol-ecules are linked by C-H⋯O and C-H⋯π inter-actions, forming a three-dimensional network.