The molecular and crystal structure of the title compound, C 12 H 13 NO 4 S, has been determined via single-crystal X-ray diffraction. As the compound crystallizes in the centrosymmetric space group P 2 1 / c , the crystal is racemic and contains equal numbers of R and S enantiomers related by inversion symmetry. The thiophene substituent is positionally disordered over two orientations arising from rotation about the C4—C5 bond, with refined site occupancies of 0.929 (2) and 0.071 (2) for the major and minor components, respectively. The major thiophene ring is essentially planar and adopts a nearly orthogonal orientation with respect to the conjugated enaminone fragment. In the crystal packing, the title molecules are linked by intermolecular O—H...O hydrogen bonds to form one-dimensional chains, which are further supported by weak C—H...O interactions, giving rise to a three-dimensional supramolecular architecture. Hirshfeld surface analysis quantitatively revealed that the crystal packing is predominantly governed by H...H (41.5%) and H...O/O...H (31.0%) contacts, with smaller contributions from other intermolecular interactions.
Pentacobalt(II) triindium(III) antimony(V) disilicon(VI) hexadecaoxide, Co 5 In 3 SbSi 2 O 16 , was obtained as a single-crystalline by-product through a reaction with the silica glass ampoule during a chemical vapor transport reaction. It crystallizes isotypically with Co 8 TeAs 2 O 16 in space group Cmce , with two (out of four) Co sites co-occupied by In, the Te site replaced by Sb, and the As site replaced by Si. The crystal structure of Co 5 In 3 SbSi 2 O 16 consists of [CoO 6 ], [(In,Co)O 6 ], and [SbO 6 ] octahedra, and [CoO 4 ] and [SiO 4 ] tetrahedra, fused by vertex- and edge-sharing into a complex three-dimensional framework.
In the title compound, C 17 H 18 N 4 O 4 S, the pyrimidine and phenyl rings subtend an interplanar angle of 30.05 (5)°. The ring angle at the C atom between the N atoms is very wide at 129.32 (11)° and the angles at the ring N atoms are narrow [115.58 (10) and 115.98 (10)°]. The molecules are linked by two classical hydrogen bonds with the amine group as donor, namely N—H...N[triple-bond]C and N—H...O=C, via an inversion centre and a 2 1 screw axis, respectively. There are also short contacts of 3.6006 (7) Å between the centroids of pairs of pyrimidine rings across inversion centres.
Single-crystal X-ray diffraction has been used to elucidate the molecular and crystal structures of ( E )-5-methoxy-2-[( p -tolylimino)methyl]phenol {systematic name: ( E )-5-methoxy-2-[ N -(4-methylphenyl)carboximidoyl]phenol}, C 15 H 15 NO 2 . The Schiff base crystallizes in the orthorhombic space group Pca 2 1 and the molecular structure is stabilized by an intramolecular O—H...N hydrogen bond, with an O...N separation of 2.605 (4) Å and an O—H...N angle of 146°. The crystal packing was examined using Hirshfeld surface analysis, which reveals dominant H...H contacts make the largest contribution to the intermolecular contacts (51.4%) of the surface, followed by H...C/C...H (30.9%), H...O/O...H (12.0%) and H...N/N...H (2.5%) contacts. The combined crystallographic and Hirshfeld surface analyses provide insight into the molecular organization and intermolecular forces governing the solid-state structure.
The molecular structure of the title compound, C 24 H 23 NO 6 , exhibits stability due to four intramolecular C—H...O interactions that form rings with S (6), S (9), S (5), and S (5) motifs. In the 7-oxabicyclo[2.2.1]hept-2-ene unit, the five-membered rings and the pyrrolidine ring all adopt envelope conformations. In the crystal, the molecules are connected by C—H...O interactions, creating a three-dimensional framework. The molecules are further connected by C—H...π interactions, forming layers parallel to the (10 1 ) plane. Important intermolecular interactions highlighted by Hirshfeld surface analysis are H...H (54.6%), C...H/H...C (21.6%) and O...H/H...O (21.3%) contacts.
