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Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890

February 2024 issue

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Cover illustration: This issue of Acta Crystallographica Section E includes two papers commissioned for the AfCA–IUCr Virtual Collection. Andreas Roodt [Acta Cryst. E80, 94–101] describes the creation of the African Crystallographic Association, while Simon Billinge describes collaborative initiatives of JUAMI, the Joint US–Africa Materials Institute [Acta Cryst. E80, 102–105].

AfCA collection


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This paper summarizes brief perspectives on the historic process of establishing an African Crystallographic Association (AfCA), including appropriate role players, organizations and accompanying events. It concludes with the official admission of AfCA as the fifth Regional Associate of the IUCr at the 26th Congress and General Assembly of the IUCr in Melbourne, Australia in 2023.

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JUAMI, the joint undertaking for an African materials institute, is a project to build collaborations and materials research capabilities between PhD researchers in Africa, the United States, and the world. Focusing on research-active universities in the East African countries of Kenya, Ethiopia, Tanzania and Uganda, the effort has run a series of schools focused on materials for sustainable energy and materials for sustainable development.


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In the title coumarin derivative, the dihedral angle between the 2H-chromen-2-one ring system and the phenyl ring is 89.12 (5)°. In the crystal, the mol­ecules are linked by C—H⋯O hydrogen bonds into [010] double chains.

research communications


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In the crystal, N—-H⋯O and O—H⋯O hydrogen bonds connect the two independent mol­ecules, forming [R_{2}^{2}](8) ring motifs. Weak C—H⋯O inter­actions link the mol­ecules, forming layers parallel to the ([\overline{2}]12) plane. The DMF solvent mol­ecules are also connected to the main mol­ecules N—H⋯O hydrogen bonds. π–π stacking inter­actions between the layers are also observed.

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Dipotassium gadolinium(III) phosphate(V) molybdate(VI), synthesized from a high-temperature melt starting from GdF3 as a source of gadolinium, has a structure that is isotypic with other MI2MIII(MVIO4)(PO4) compounds, where MI = Na, K or Cs, and MIII = rare-earth cation, MVI = Mo or W. The three-dimensional framework is built up from [Gd(PO4)(MoO4)] anionic sheets, which are organized by adhesion of [GdPO4] layers and [MoO4] tetra­hedra stacked above and below of these layers, and the inter­stitial space is occupied by K cations having eightfold oxygen coordination.

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The title compound, C10H11N5O2S2, consists of an unexpected imino-di­hydro-triazine tautomer. Mol­ecules are linked by hydrogen bonds and by Osulf­on­amide⋯(C—NH—C)triazine contacts.

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The synthesis and crystallographic analysis of [(E)-1,3-benzodioxol-5-yl­methyl­idene­amino]­thio­urea is reported, offering a comprehensive exploration of its structural features and supra­mol­ecular arrangements within the crystal.

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The coordination polyhedron of the Cd2+ ion in the title compound is a CdN2O5 penta­gonal bipyramid formed by two bidentately coordinated carb­oxy­lic groups of different anions, one water mol­ecule and two pyridine mol­ecules. In the crystal, polymeric chains propagate along the [1[\overline{1}]1] direction; the chains are linked by hydrogen bonds and π–π stacking inter­actions into a three-dimensional network.

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In the title Schiff base tetra­nuclear copper(II) complex, two discrete environments are present in the structure: CuN2OBr2 and CuBr4. Two copper(II) cations are situated in distorted square-based pyramidal environment, while two copper(II) cations are located in distorted tetra­hedral geometry.

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In the crystal, mol­ecules of the title compound are linked into infinite sinusoidal chains along the [001] direction. The study demonstrated that dispersion energy was the most influential factor in the crystal organization of the compound.

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The preparation and solid-state structures of three borylated ortho-silylaryl tri­fluoro­methane­sulfonates are reported. All compounds show the expected connectivity and unexceptional metric parameters as well as weak intra­molecular inter­actions.

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In the title compound, the two hydrazide planes make a dihedral angle of 86.5 (2)°. In the crystal, C—H⋯O, N—H⋯O and N—H⋯N hydrogen bonds lead to the formation of a three-dimensional supra­molecular network.

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The crystal structure of the title compound consists of discrete tetra­hedral complexes that are linked by weak inter­molecular hydrogen bonding. Upon heating, melting before decomposition is observed.

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Five structures with methyl­piperidine ligands and gold(I) centres all exhibit linear geometry at the Au atom, and equatorial and axial positions, respectively, for the methyl groups and Au atoms at the piperidine rings. The packing involves hydrogen bonding and aurophilic inter­actions.

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The title complex was synthesized by ligand metathesis from [1,3-bis­(2,6-diiso­propyl­phen­yl)imidazol-2-yl­idene]gold(I) chloride and sodium cyanate in anhydrous tetra­hydro­furan and crystallized from toluene at 233 K as a neutral complex with the central Au atom di-coordinated by an N-heterocyclic carbene and an iso­cyanate, with a linear CAuNCO moiety.

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Single crystals of cubic alkali aluminoboracites A4B4Al3O12Cl (A = Li, Na) were grown from a self-flux and their crystal structures were determined and compared in two space group types, F[\overline{4}]3c and F23. Na4B4Al3O12Cl is the first sodium boracite and its lattice parameter is the largest among boracites with a cation–oxygen framework.

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In the crystal structure of the title compounds, the CoII cations are either sixfold or fivefold coordinated by two thio­cyanate anions and four or three 4-methyl­pyridine N-oxide coligands within a slightly distorted octa­hedral or a trigonal–bipyramidal coordination polyhedron.

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The asymmetric unit of the title salt, Na+·C6H4BO8·H2O, com­prises a five-coordinate sodium cation, a bis­(malonato)borate anion and a water mol­ecule of crystallization.

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In the crystal of methyl 4-{2,2-di­chloro-1-[(E)-phenyl­diazen­yl]ethen­yl}benzoate, mol­ecules are linked by C—H⋯N hydrogen bonds, forming chains with C(6) motifs parallel to the b axis. In methyl 4-{2,2-di­chloro-1-[(E)-(4-methyl­phen­yl)diazen­yl]ethen­yl}benzoate, mol­ecules are linked by C—H⋯O hydrogen bonds and C—Cl⋯π inter­actions, forming layers parallel to (010). In methyl 4-{2,2-di­chloro-1-[(E)-(3,4-di­methyl­phen­yl)diazen­yl]ethen­yl}benzoate, mol­ecules are linked by C—H⋯π and C—Cl⋯π inter­actions, forming chains parallel to [011].

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In the title crystal, mol­ecules are linked by N—H⋯O hydrogen bonds, forming ribbons parallel to (020) in zigzag C(7) chains along the a axis. These ribbons are connected via C—H⋯π inter­actions, forming a three-dimensional network.

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A second polymorphic form of solvent-free miconazole, a triclinic form (MIC-tri), is reported, and compared with the anhydrous monoclinic form of miconazole (MIC-mono).

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In the title com­pound, a benzyl­ideneaniline Schiff base, the planes of the p-substituted aromatic rings subtend a dihedral angle of 46.01 (6)°.

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Cd2(PO4)OH and Cd5(PO4)2(OH)4 crystallize in the mineral structures of triplite and arsenoclasite, respectively.

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The synthesis, crystal structure and analysis of a chiral Schiff base (S)-(+)-1-(4-bromo­phen­yl)-N-[(4-methoxyphen­yl)methyl­idene]ethyl­amine ligand along with its corresponding palladium(II) com­plex are detailed. The crystal structures exhibit monoclinic P21 and ortho­rhom­bic P212121 symmetries, respectively. The structure of the palladium(II) com­plex reveals C—H⋯O and C—H⋯Br hydrogen-bonding inter­actions involving two distinct mol­ecules within the asymmetric unit.

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In the title compound, C27H20N4O3S, the three aromatic rings are oriented almost perpendicular to the plane of the central 1,2,4-triazole ring.

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In the crystal, mol­ecular pairs form dimers through N—H⋯O hydrogen bonds. These dimers are linked into ribbons parallel to the (100) plane by further N—H⋯O hydrogen bonds. In addition, π–π and C—Cl⋯π inter­actions between the ribbons form layers parallel to the (100) plane.

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The crystal structure and thermogravimetric stability of [Pr2(pydc)(phth)2(H2O)3]·H2O, a two-dimensional coordination polymer with a novel coordination mode of pyridine-2,5-di­carboxyl­ate (pydc2−), are reported.

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In the crystal of 1-(4-methyl­benz­yl)in­do­line-2,3-dione, a layer structure is generated by C—H⋯O hydrogen bonds and C—H⋯π(ring), π-stacking and C=O⋯π(ring) inter­actions.

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In the title mol­ecule, the five- and six-membered rings are oriented at a dihedral angle of 75.88 (8)°. In the crystal, N—H⋯N hydrogen bonds form chains of mol­ecules extending along the c-axis direction that are connected by inversion-related pairs of O—H⋯N into ribbons. The ribbons are linked by C—H⋯π(ring) inter­actions, forming layers parallel to the ab plane.

Research communications

Research communications are designed to help authors bring out the science behind their structure determinations. Authors are encouraged to report more than one structure in the same communication and also to include the results of investigations with other techniques. The Research communications format makes Acta E the natural home for structure determinations with interesting science to report.

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Acta E is included in the Emerging Sources Citation Index.

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