The crystal of ethyl 3-hy-droxy-benzoate, C9H10O3, comprises two independent mol-ecules in the asymmetric unit. Each mol-ecule is approximately planar with the ethyl group directed away from the carbonyl-O atom. The planarity is reflected in the phenyl-C-C-O-C(methyl-ene) torsion angles of -179.40 (10) and 177.88 (11)°, respectively. The greatest difference between the mol-ecules is found in the relative orientations of the methyl groups as seen in the carboxyl-ate-C-O-C-C(meth-yl) torsion angles of -178.76 (11) and -171.12 (13)°, respectively. In the crystal, hydroxyl-O-H⋯O(carbon-yl) hydrogen-bonding occurs within almost planar chains along [100].

The title imidazolium picrate salt, C24H23N2O+·C6H2N3O7 -, crystallizes in the triclinic space group P1. The asymmetric unit consists of one imidazolium cation and one picrate anion. The mol-ecular structure is consolidated by an intra-molecular N-H⋯O hydrogen bond within the imidazolium cation and by an inter-molecular N-H⋯O hydrogen bond between the imidazolium cation and the picrate anion. In the crystal, the ions are further associated through π-π stacking inter-actions, contributing to the supra-molecular packing arrangement. Two nitro groups of the picrate anion were modelled as disordered over two positions.

The title complex, bis-{μ4-(E)-2-[(5-meth-oxy-2-oxido-benzyl-idene)amino]-benzoato}bis-{μ2-(E)-2-[(5-meth-oxy-2-oxido-benzyl-idene)amino]-benzoato}tetra-copper(II), [Cu4(C15H11NO4)4] or Cu4(L)4, was synthesized by the solvothermal reaction of (E)-2-[(2-hy-droxy-5-meth-oxy-benzyl-idene)amino]-benzoic acid (H2 L) with copper(II) chloride. It crystallizes in the triclinic system with space group Pī. The tetra-nuclear structure consists of two fully symmetric dinuclear copper moieties. In the dinuclear copper structural unit, both copper(II) metal centers exhibit a five-coordinate NO4 environment. Of the four coordinating oxygen atoms, two are phenolate oxygen atoms acting as bridges from two different ligands, while the other two oxygen atoms are derived from the carboxyl groups of two distinct ligands, respectively. SHAPE analysis indicates that both copper(II) centers adopt a distorted trigonal-bipyramidal (D 3h ) geometry. C-H⋯O hydrogen bonds and C-H⋯π inter-actions contribute to the cohesion of the crystal packing.

The crystal structure of the (1R,2S,5R) diastereomer of acoltremon [systematic name: (1R,2S,5R)-2-isopropyl-N-(4-meth-oxy-phen-yl)-5-methyl-cyclo-hexane-1-carboxamide], C18H27NO2, has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Acoltremon crystallizes in space group P212121 and the crystal structure consists of corrugated layers lying parallel to the bc plane. N-H⋯O hydrogen bonds link the mol-ecules into chains propagating along the a-axis direction, with graph-set descriptor C [1] 1(4).

catena-Poly[aluminium(III)-μ-hydroxido-κ2 O:O-di-μ-methane-sulfonato-κ4 O:O'], [Al(OH)(CH3SO3)2] n , was prepared by mild hydro-thermal synthesis at 523 K and crystallizes as millimetre-sized clear and colourless needles. The asymmetric unit contains half of the repeating structure, one-dimensional (AlO6)∞ chains corner sharing through the axial hydroxyl group with a bend of ∼137ο. The extended structure shows the chains are connected through weak meth-yl-hydrogen bonding in the [001] direction and strong hydrox-yl-hydrogen bonding in the [100] direction. This is the second aluminium-based methane-sulfonate salt reported to date.

In the presence of tri-methyl-amine, new compounds were obtained by aryl-sulfonyl-ation of 3-(piperidin-2-yl)pyridine (the alkaloid anabasine), namely: (S)-3-{1-[(4-chloro-phen-yl)sulfon-yl]piperidin-2-yl}pyridine, C16H17ClN2O2S (1); (S)-3-[1-(4-methyl-phen-yl)piperidin-2-yl]pyridine, C17H20N2O2S (2); (S)-3-{1-[(4-meth-oxy-phen-yl)sulfon-yl]piperidin-2-yl}pyridine, C17H20N2O3S (3); and (S)-3-{1-[(3,4-di-methyl-phen-yl)sulfon-yl]piperidin-2-yl}pyridine, C18H22N2O2S (4). In the crystal structures, the spatial arrangement of the pyridine and piperidine rings around the Csp 2-C* bond, as well as the orientation of the benzene ring of the aryl-sulfonyl group relative to the anabasine moiety, are analyzed.

The title com-pound, C14H14N4OS, was crystallized at -20 °C by ether diffusion into an ethanol solution. The dihedral angle between the planes of the aromatic rings is 38.19 (19)° and the mol-ecular conformation is supported by two intra-molecular N-H⋯N hy-dro-gen bonds. In the extended structure, N-H⋯O hy-dro-gen bonds link the mol-ecules into [011] chains. Hirshfeld surface analysis shows that H⋯H (44%), C⋯H/H⋯C (25%) and S⋯H/H⋯S (11.4%) contacts contibute the largest amounts.

The crystal structure of avutometinib (systematic name: 3-{[3-fluoro-2-(methyl-sulfamoyl-amino)-pyridin-4-yl]meth-yl}-4-methyl-7-(pyrimidin-2-yloxy)-chro-men-2-one), C21H18FN5O5S, has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Avutometinib crystallizes in space group P1 (#2). The crystal structure is composed of layers parallel to the ab plane. N-H⋯O hydrogen bonds link the layers along the a-axis direction. The mol-ecule is Z-shaped.

Two transition-metal complexes, rac-di-bromido-[1-(di-methyl-amino-meth-yl)-2-(pyrrolidin-1-ylmeth-yl)ferrocene]zinc(II), [FeZnBr2(C5H5)(C13H22N2)] (rac-1), and rac-di-bromido-[1-(di-methyl-amino-meth-yl)-2-(pyrrolidin-1-ylmeth-yl)ferrocene]cadmium(II), [FeCdBr2(C5H5)(C13H22N2)] (rac-2), crystallize in the form of yellow blocks and were characterized by single-crystal X-ray diffraction. They were synthesized using rac-1-(di-methyl-amino-meth-yl)-2-(pyrrolidin-1-ylmeth-yl)ferrocene (rac-3) as starting material, which is characterized here for the first time. Both, the zinc center in complex rac-1 and the cadmium center in complex rac-2 exhibit a tetra-hedral coordination geometry. Nevertheless, there are some differences in terms of the bond lengths as well as the bond angles. Furthermore, not only the space groups, P21/n for rac-1 and P212121 for rac-2, but also the crystal packings differ from each other, which can be seen in different configurations of the pyrrolidine substituents. To investigate the inter-molecular inter-actions leading to these structural differences, Hirshfeld surface analyses were performed. They showed that H⋯H inter-actions make the largest contribution to the crystal packing in both structures, with 69.0% and 66.6% for rac-1 and rac-2, respectively.

The title compound, di-aquabis-{2-formyl-6-meth-oxy-4-[(E)-2-phenyl-diazen-1-yl]phenolato-κ[2] O [1],O [2]}iron(II), [Fe(C14H11N2O3)2(H2O)2], comprises two bi-dentate ligands derived from 2-meth-oxy-4-(phenyl-diazen-yl)-6-formyl-phenol and two coordinated water mol-ecules. The Fe[II] center is located at a crystallographic inversion center and adopts an octa-hedral coordination geometry. Both azo-phenolate ligands coordinate in a bidentate chelating mode (κ[2] O,O') through the phenolate oxygen and formyl oxygen atoms in a centrosymmetric arrangement. The crystal structure was determined at 79 K using the MicroED method (λ = 0.02508 Å). The complex crystallizes in the monoclinic space group P21/n with Z = 2. The azo groups adopt trans conformations. A Hirshfeld surface analysis indicates that the most important contributions to the packing are from H⋯H (36.8%) and C⋯H/H⋯C (31.9%) contacts.

The crystal structure of saflufenacil or 2-chloro-4-fluoro-N-(N-isopropyl-N-methyl-sulfamo-yl)-5-[3-methyl-2,6-dioxo-4-(tri-fluoro-meth-yl)-1,2,3,6-tetra-hydro-pyrimidin-1-yl]benzamide, C17H17ClF4N4O5S, has been determined by single-crystal X-ray diffraction. The compound crystallizes in the monoclinic space group P21/c. The asymmetric unit contains one mol-ecule of Saflufenacil. The tri-fluoro-methyl-substituted di-hydro-pyrimidine ring is essentially planar, while the dihedral angle between this ring and the central benzene ring is 86.70 (6)°, indicating an almost perpendicular orientation. In the crystal, N-H⋯O hydrogen bonds link adjacent mol-ecules into infinite chains extending along the b-axis direction, which are further assembled into two-dimensional layers via weak C-H⋯O inter-actions. Hirshfeld surface analysis reveals that H⋯O/O⋯H, H⋯H, H⋯F/F⋯H and H⋯C/C⋯H contacts contribute 26.6%, 20.8%, 15.4% and 8.7%, respectively, to the total surface area. Energy framework calculations confirm a two-dimensional inter-action network with a high total energy, consistent with the close-packing arrangement in the crystal.

The crystal structure of midodrine hydro-chloride Form A (systematic name: {[2-(2,5-di-meth-oxy-phen-yl)-2-hy-droxy-eth-yl]carbamo-yl}methanaminium chloride, C12H19N2O4 +·Cl-) has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Midodrine hydro-chloride Form A crystallizes in space group P21/c (#14). The crystal structure is characterized by layers perpendicular to the c-axis direction. The Cl anions reside in the center of the layer. Hydrogen bonds are prominent in the structure. Each of the three H on the protonated N acts as a donor - one to the carbonyl group and the other two to the Cl ion. The hydroxyl group and the amide also act as donors to Cl. Considering the classical hydrogen bonds, the Cl ion is four-coordinate.

The title compound, C14H12ClNO3 (I), was obtained from the reaction of 2-amino-4-chloro phenol with vanillin (4-hy-droxy-3-meth-oxy-benzaldehyde). It crystallizes with two conformationally different mol-ecules in the asymmetric unit. In one of the mol-ecules, the 4-chloro-2(methyl-ene-amino)-phenol moiety is partially positionally disordered with the refined occupancies being 0.850 (2):0.150 (2). In both mol-ecules there are intra-molecular O-H⋯O and O-H⋯N hydrogen bonds, all enclosing S(5) ring motifs. The configuration about the azomethine bond is E in both mol-ecules. The extended structure features O-H⋯O, C-H⋯Cl, C-H⋯O hydrogen bonds, as well as C-H⋯π and parallel displaced π-π inter-actions, which lead to the formation of a three-dimensional network.

The title compound, C9H9Cl2NO2, crystallizes in the triclinic space group P1 with six mol-ecules in the asymmetric unit. Structure determination at 100 K from a two-component twin crystal shows that the six crystallographically independent mol-ecules adopt closely similar conformations. The di-chloro-phenyl and acetamide planes form a dihedral angle of ca. 10.0° (mean of six mol-ecules), while the meth-oxy substituent is oriented nearly orthogonal to the aromatic ring (mean dihedral angle = 88.5°). In the extended structure, the mol-ecules are linked by N-H⋯O hydrogen bonds into infinite chains extending along [110], giving rise to three independent motifs of alternating mol-ecules (ABABAB⋯, CDCDCD⋯, and EFEFEF⋯). Numerous weak C-H⋯O and C-H⋯Cl hydrogen bonds consolidate the packing.