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The crystal structures of the title compounds, two solvates (CHCl3 and THF) of a symmetric and highly substituted porphyrin, C44H2Br8F20N4 or OBrTPFPP, are described. These structures each feature a non-planar porphyrin ring, exhibiting a similar conformation of the strained ring independent of solvent identity. These distorted porphyrins are able to form hydrogen bonds and sub-van der Waals halogen inter-actions with enclathrated solvent; supra-molecular inter-actions of proximal macrocycles are additionally affected by solvent choice. The crystal studied for compound 1·CHCl3 was refined as an inversion twin. One penta-fluoro-phenyl group was modelled as disordered over two sites [occupancy ratio = 0.462 (7)0.538 (7)]. The chloro-form solvate was also modelled as disordered over two orientations [occupancy ratio = 0.882 (7) 0.118 (7). © Kingsbury et al. 2020.The title hydrazine carbodi-thio-ate, C13H18N2OS2, is constructed about a central and almost planar C2N2S2 chromophore (r.m.s. deviation = 0.0263 Å); the terminal meth-oxy-benzene group is close to coplanar with this plane [dihedral angle = 3.92 (11)°]. The n-butyl group has an extended all-trans conformation [torsion angles S-Cm-Cm-Cm = -173.2 (3)° and Cm-Cm-Cm-Cme = 180.0 (4)°; m = methyl-ene and me = meth-yl]. The most prominent feature of the mol-ecular packing is the formation of centrosymmetric eight-membered ⋯HNCS2 synthons, as a result of thio-amide-N-H⋯S(thio-amide) hydrogen bonds; these are linked via meth-oxy-C-H⋯π(meth-oxy-benzene) inter-actions to form a linear supra-molecular chain propagating along the a-axis direction. An analysis of the calculated Hirshfeld surfaces and two-dimensional fingerprint plots point to the significance of H⋯H (58.4%), S⋯H/H⋯S (17.1%), C⋯H/H⋯C (8.2%) and O⋯H/H⋯O (4.9%) contacts in the packing. The energies of the most significant inter-actions, i.e. the N-H⋯S and C-H⋯π inter-actions have their most significant contributions from electrostatic and dispersive components, respectively. The energies of two other identified close contacts at close to van der Waals distances, i.e. a thione-sulfur and meth-oxy-benzene-hydrogen contact (occurring within the chains along the a axis) and between methyl-ene-H atoms (occurring between chains to consolidate the three-dimensional architecture), are largely dispersive in nature. © Rusli et al. 2020.The structure of the title quinoline carboxamide derivative, C26H25N3O, is described. The quinoline moiety is not planar as a result of a slight puckering of the pyridine ring. The secondary amine has a slightly pyramidal geometry, certainly not planar. Both intra- and inter-molecular hydrogen bonds are present. Hirshfeld surface analysis and lattice energies were used to investigate the inter-molecular inter-actions. © Gomes et al. 2020.SrS2O3·H2O was obtained from an aqueous solution of Na2S2O3 and Sr(NO3)2 and crystallizes in space group P with all atoms at general positions. The Sr2+ ion exhibits an [8 + 1] coordination defined by two terminal S and six O atoms of thio-sulfate ions, one of the latter at a longer distance, and by one O atom of a water mol-ecule. Two thio-sulfate anions act as bidentate, four as monodentate ligands. The structure consists of mainly ionically inter-acting layers lying parallel to the crystallographic ab plane. The layers are connected by O-H⋯S and O-H⋯O hydrogen bonds of moderate strength. © Wilhelm Klein 2020.Recrystallization of (E)-5-phenyl-1-(pyridin-2-yl)pent-2-en-4-yn-1-one at room temperature from ethyl-ene glycol in daylight afforded [3,4-bis-(phenyl-ethyn-yl)cyclo-butane-1,2-di-yl)bis-(pyridin-2-yl-methanone], C32H22N2O2 (3), while (E)-5-(4-methyl-phen-yl)-1-(pyridin-2-yl)pent-2-en-4-yn-1-one, C17H13NO (2), remained photoinert. This is the first experimental evidence that pentenynones can be photoreactive when fixed in nearly coplanar parallel positions. During the photoreaction, the bond lengths and angles along the pentenyne chain changed significantly, while the disposition of the pyridyl ring towards the keto group was almost unchanged. The cyclo-butane ring adopts an rctt conformation. © Ushakov et al. 2020.Crystals of the new compound, AgSr4Cu4.5(PO4)6, were grown successfully by the hydro-thermal process. The asymmetric unit of the crystal structure of the title compound contains 40 independent atoms (4 Sr, 4.5 Cu, 1 Ag, 6 P and 24 O), which are all in general positions except for one Cu atom, which is located on an inversion centre. The Cu atoms are arranged in CuO n (n = 4 or 5) polyhedra, linked through common oxygen corners to build a rigid three-dimensional motif. The connection of these copper units is assured by PO4 tetra-hedra. This arrangement allows the construction of layers extending parallel to the (100) plane and hosts suitable cavities in which Ag+ and Sr2+ cations are located. The crystal-structure cohesion is ensured by ionic bonds between the silver and strontium cations and the oxygen anions belonging to two adjacent sheets. Charge-distribution analysis and bond-valence-sum calculations were used to validate the structural model. © Khmiyas et al. 2020.Each central platinum(II) atom in the crystal structures of chlorido-[dihy-droxybis-(1-imino-eth-oxy)arsanido-κ3 N,As,N']platinum(II), [Pt(C4H10AsN2O4)Cl] (1), and of chlorido-[dihy-droxybis-(1-imino-prop-oxy)arsanido-κ3 N,As,N']platinum(II), [Pt(C6H14AsN2O4)Cl] (2), is coordinated by two nitro-gen donor atoms, a chlorido ligand and to arsenic, which, in turn, is coordinated by two oxygen donor ligands, two hydroxyl ligands and the platinum(II) atom. The square-planar and trigonal-bipyramidal coordination environments around platinum and arsenic, respectively, are significantly distorted with the largest outliers being 173.90 (13) and 106.98 (14)° for platinum and arsenic in (1), and 173.20 (14)° and 94.20 (9)° for (2), respectively. One intra-molecular and four classical inter-molecular hydrogen-bonding inter-actions are observed in the crystal structure of (1), which give rise to an infinite three-dimensional network. NRD167 in vivo A similar situation (one intra-molecular and four classical inter-molecular hydrogen-bonding inter-actions) is observed in the crystal structure of (2).
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