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April 2025 issue
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There are very few examples of crystallographically well-documented racemic mimics. Therefore, this interesting class of crystalline molecules, potentially having useful biological uses, is today one of those scientific orphans largely ignored in the crystallographic realm. Some suggestions are provided for searching for potential cases of such a crystallization mode using information already in print.
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The crystal structure of capsaicin, the natural product responsible for the pungency of chilli peppers, was determined by low-temperature single-crystal X-ray diffraction.
CCDC reference: 2426261
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The ability to control the yield for a [2+2] cycloaddition photoreaction by using a mixed cocrystal approach is reported. The two isosteric halogen-bond donors allow for the formation of the cocrystal solid solution and as a result influences the extent of the photoreaction based upon their initial molar ratios.
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The biological activity of a newly synthesized pyrido[3,4-d]pyridazinone was investigated in terms of cytotoxic (on the normal cell lines L929 and RPTEC, as well as the cancer cell lines A172, AGS, CACO-2 and HepG2) and anti-inflammatory (using colorimetric assay for inhibition of COX-1 and COX-2) properties.
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The supramolecular interactions and Hirshfeld surfaces of three multicomponent systems, namely, 2,4-diamino-6-phenyl-1,3,5-triazine–nicotinic acid, 2,4-diamino-6-phenyl-1,3,5-triazin-1-ium hydrogen malonate and 2,4-diamino-6-phenyl-1,3,5-triazin-1-ium hydrogen (+)-dibenzoyl-D-tartarate have been investigated.
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Four novel benzylamine-based crown ether inclusion complexes have been synthesized, [(4-XBA)(18-crown-6)][DMSA] [X = F, Cl, Br and I; BA= benzylamine; DMSA = di(methanesulfony)amidate]. The effects of the different halogen atoms on the stacking within the crystals of the complexes are described.
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8-Ethynyl-2′-deoxyisoguanosine exists as an organized mixture of the N1-H and N3-H tautomers in the solid state. The nucleoside is in a syn conformation, which is stabilized by hydrogen bonds between the heterocycle and the sugar residue. A tridentate purine–purine base pair in the crystal packing is enabled by alteration of the donor–acceptor pattern of the nucleobase due to tautomerism.
CCDC reference: 2411375
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The Barton–Kellogg olefination of a thiobenzophenone and a 3H-1,2-dithiole-3-thione yields the corresponding alkenes, whose solid-state structures, along with that of an intermediate thiirane, have been characterized and found to be similar to those of related compounds.
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A comparison of the structure of newly synthesized KHfF5 with other complex fluorides of alkali metals and hafnium, zirconium or terbium(IV) revealed that this compound has no isostructural analogue among the known phases of general composition MIMIVF5.
CCDC reference: 2429715