issue contents

AfCA collection

Celebrating work published by African researchers in IUCr journals

Edited by Susan Bourne, Delia Haynes and Michele Zema

To commemorate the founding of the African Crystallographic Association and also to mark the 75th anniversary of the IUCr, we are publishing a special collection of articles from African researchers, which provides a valuable and visible endorsement of the development of crystallography in Africa. We also include articles about outreach activities for the development of crystallography in Africa.

Highlighted illustration

editorial


link to html
This virtual collection is a celebration. It is a celebration of crystallography in Africa, and a celebration of the international crystallography community. It commemorates the founding of the African Crystallographic Association (AfCA), which was accepted as the newest Regional Associate of the International Union of Crystallography (IUCr) in 2023, the year of the 75th anniversary of the first IUCr Congress and General Assembly. The collection contains research articles authored by scientists across the African continent, as well as a selection of articles giving context to crystallography in Africa. These discuss history, collaboration between scientists and between associations, and various educational and outreach initiatives.

invited articles


link to html
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.

link to html
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.

J. Synchrotron Rad. (2024). 31, 1-9
https://doi.org/10.1107/S1600577523009682
link to html
The African Light Source project towards a light source for the African continent is described.

link to html
The synthesis and structures are reported of two transition-metal complexes involving 2-(2-hy­droxy­phen­yl)benzimidazole with cobalt and manganese, arising from a UK–Africa collaboration.

link to html

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.


link to html
A detailed analysis of rhenium(I) organometallic covalent binding to a model protein is conducted at seven time points over 38 weeks. Changes in the protein structure induced at the Re binding sites over the time series as well as the relationship between the proximity of the solvent channels to the residues containing the highest-occupied Re are described.

link to html
The title benzimidazole com­pounds were synthesized by the condensation reaction of benzene-1,2-di­amine with 4-meth­oxy­naph­tha­lene-1-carbaldehyde in the ratios 1:1 and 1:2, respectively. Both com­pounds exhibit significant anti­corrosion properties with respect to iron and copper.

link to html
The hydrazone form is the predominant form in the solid state. The naphthol and benzene fragments attached to the –N=N– moiety adopt the s-trans conformation. There are only two types of inter­molecular inter­actions in the crystal structure: strong hydrogen-bonding C—H⋯O inter­actions and π–π stacking inter­actions.

link to html
N-(5-Acetyl-4-methyl­pyrimidin-2-yl)benzene­sulfonamide was synthesized and structurally characterized. In the crystal, π–π inter­actions between the phenyl and pyrimidine groups of neighbouring mol­ecules form mol­ecular chains parallel to [010]. Adjacent chains are linked by N—H⋯N hydrogen-bonding inter­actions, resulting in a three-dimensional network.


link to html
The title Schiff base was synthesized by the reaction of 2-amino-4-methyl­phenol with 4-meth­oxy­naph­tha­lene-1-carbaldehyde in a 1:1 ratio. The com­pound exhibits significant anti­corrosion properties for iron and copper.

link to html
In the crystal of the title com­pound, C—H⋯O hydro­gen bonds link the mol­ecules, enclosing [R_{2}^{2}](10) and [R_{2}^{2}](16) ring motifs, into layers almost parallel to the bc plane. The layers are further connected by π–π stacking inter­actions.

link to html
The title triazene derivatives were synthesized using a diazo­nium inter­mediate that was obtained from 3-amino­pyridine and isoamyl nitrite.

link to html
The orthophosphate BaNi2Fe(PO4)3 crystallizes in the α-CrPO4 type of structure, in which edge-sharing [Ni2O10] octa­hedra are linked to PO4 tetra­hedra and [FeO6] octa­hedra to form a three-dimensional framework delimiting channels which house disordered Ba2+ cations.

link to html
Four cocrystals containing N′-(butan-2-yl­idene)pyridine-4-carbohydrazide and one cocrystal containing N′-iso­propyl­ideneisonicotinohydrazide were synthesized by reacting isoniazid with either butan-2-one (for the former) or acetone (for the latter). The coformers used to synthesize these cocrystals were 2,4-di­hydroxy­benzoic acid, 2,5-di­hydroxy­benzoic acid, 2-chloro-4-nitro­benzoic acid and 1-naphthoic acid. The cocrystals were characterized by SC-XRD, PXRD and DSC.

link to html
In the title compound, a (3,−1) critical point is found on the topology path connecting the (PhO)3P=O and SnPh3Cl moieties, showing that an actual O—Sn covalent bond is formed between the phosphate and the stannane derivatives.

link to html
In the layer structure of di-μ2-iodido-bis­[(2,2′-bi­quinoline-κ2N,N′)copper(I)], π–π inter­actions provide conectivity within and between the layers.

link to html
The asymmetric unit of the title compound consists of two mol­ecules differing to a small degree in their conformations. In the crystal, layers of mol­ecules are connected by weak C—H⋯O hydrogen bonds and slipped π-stacking inter­actions.

link to html
The successful synthesis, characterization and analysis of inter­molecular inter­actions of aryl­sul­fon­amide Schiff bases have been achieved, alongside their evaluation for inhibitory effects on tankyrase poly(ADP-ribose) polymerase in the context of colon cancer, through in-silico testing.

link to html
The mol­ecular structure of the title compound comprises an essentially planar pyrimidine ring from which the propynyl group is rotated by 15.31 (4)°. In the crystal, a tri-periodic network is formed by N—H⋯O, N—H⋯N and C—H⋯O hydrogen-bonding and slipped π–π stacking inter­actions, leading to narrow channels extending parallel to the c axis.

link to html
The pendant dodecyl chain in the title compound adopts an all-trans conformation apart from the gauche terminal C—C—C—Br moiety.

link to html
In the title compound, the thia­zine ring exhibits a screw-boat conformation. In the crystal, corrugated layers of mol­ecules parallel to the ab plane are formed by N—H⋯O and C—H⋯O hydrogen bonds together with C—H⋯π(ring) and S=O⋯π(ring) inter­actions. The layers are connected by additional C—H⋯O hydrogen bonds and π-stacking inter­actions.

link to html
The title mol­ecule adopts a conformation resembling a two-bladed fan with the octyl chains in fully extended conformations. In the crystal, the mol­ecules are linked by C—H⋯O and C—H⋯N hydrogen bonds and C—H⋯π inter­actions.

link to html
In the title compound, the benzimidazole moiety subtends dihedral angles of 46.16 (7) and 77.45 (8)° with the benzene rings, which themselves form a dihedral angle of 54.34 (9)°. The crystal structure features O—H⋯N and O—H⋯O hydrogen-bonding inter­actions, which together lead to the formation of two-dimensional hydrogen-bonded layers parallel to the (101) plane, as well as π–π inter­actions

link to html
The transition-metal orthophosphate, β-Cd3(PO4)2, was synthesized by a solid-state reaction and characterized by single-crystal X-ray diffraction and EDS spectroscopy. It crystallizes in the monoclinic system, space group P21/n.

link to html
Mol­ecules of the title complex are centrosymmetric and the Fe—N bond lengths to the N atoms of the porphyrin ring indicate that the FeII atom is in the low-spin state.

link to html
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.

link to html
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.

link to html
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.

link to html
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.

link to html
The reaction between 2-pyridyl­selenenyl chloride and isobutyro­nitrile results in the formation of the corresponding cationic pyridinium-fused 1,2,4-seleno­diazole, namely, 3-(propan-2-yl)-1,2,4-[1,2,4]selena­diazolo[4,5-a]pyridin-4-ylium chloride, C9H11N2Se+·Cl, in high yield (89%). The bifurcated Se⋯Cl⋯H—Cl chalcogen-hydrogen-bonding inter­actions were analysed by DFT followed by a topological analysis of the electron-density distribution.

link to html
The mol­ecule of the title compound is twisted end to end so that the ferrocenyl groups are nearly perpendicular to one another. The central N/C/N unit is disordered. In the crystal, several C—H⋯π(ring) inter­actions lead to the formation of layers parallel to (010), which are connected by further C—H⋯π(ring) inter­actions.

link to html
In the crystal of the title compound, N—H⋯O hydrogen bonds form chains of mol­ecules along the [100] direction. The chains are linked by C—H⋯π inter­actions, forming a three-dimensional network.

link to html
In the title mol­ecule, the imidazolidine ring slightly deviates from planarity and the morpholine ring exhibits the usual chair conformation. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds form helical chains of mol­ecules extending parallel to the c axis that are connected by C—H⋯π(ring) inter­actions into a tri-periodic network.

link to html
In the title mol­ecule, the benzimidazole entity is almost planar (r.m.s. deviation = 0.0262 Å), while the triazole ring is oriented almost perpendicular to the benzimidazole ring. In the crystal, bifurcated C—H⋯O hydrogen bonds link individual mol­ecules into layers extending parallel to the ac plane.

link to html
A thio­urea derivative with two dissimilar functional groups was prepared and characterized. In the crystal, pairs of adjacent mol­ecules inter­act via inter­molecular hydrogen bonds of type C—H⋯N, C—H⋯S and N—H⋯S, resulting in mol­ecular layers parallel to the ac plane.

link to html
This work presents the crystal structure of a natural diterpenoid, Staudtienic acid, isolated from the stem bark of Staudtia kamerunensis Warb (Myristicaceae). This work confirmed the results previously obtained from NOE spectroscopy.

link to html
In the title mol­ecule, the pyrazolo­pyrimidine moiety is planar with the methyl­sulfanyl substituent lying essentially in the same plane, whereas the benzyl group is rotated well out of this plane giving the mol­ecule an approximate L shape.

link to html
The synthesis and structural characterization of a dinuclear CuII complex, [tri­chlorido­copper(II)]-μ-chlorido-{bis­[2-hy­droxy-N′-(propan-2-yl­idene)benzohydrazide]copper(II)} monohydrate, [Cu2Cl4(C10H12N2O2)2]·H2O or [Cu(H2L)2(μ-Cl)CuCl3]·H2O is reported

link to html
In the title compound, the dihedral angle between the coumarin ring system and the penta­noate ring is 36.26 (8)°. A short intra­molecular C—H⋯O contact is observed.

link to html
The title complex, which consists of a central zinc metal ion surrounded by six 1-methyl­imidazole ligands, charge balanced by two nitrate anions and which crystallizes in the space group P[\overline{3}] has been synthesized and its structure determined.

link to html
The structure of a new seleno­diazo­lium salt derived from the reaction between 2-pyridyl­selenyl chloride and phenyl­seleno­cyanate is described. Halogen–hydrogen, chalcogen–chalcogen, chalcogen–hydrogen and chalcogen–halogen inter­actions are present in the structure.


link to html
The title mol­ecule is almost planar, with an intra­molecular S⋯O=C contact. The packing is a layer structure with dimeric units connected by a C—H⋯O=C hydrogen bond.

link to html
In the title compound, the angle between the tolyl and thia­diazole rings is 9.2 (1)°. The hydrogen bonding is a combination of a ribbon involving hydrogen bonds of the sugar residues, and a layer based on N—H⋯O and O—H⋯N hydrogen bonds.

link to html
In the crystal structure of the title compound, the triazole ring exhibits inter­planar angles of ca 64 and 77° with the phenyl and benzo­thia­zole planes, respectively. The packing involves three borderline C—H⋯N contacts and a pairing of the triazole rings across an inversion centre.

link to html
The 1:1 co-crystal N′-[(2-methyl­phen­yl)methyl­idene]pyridine-4-carbohydrazide–benzoic acid (1/1) formed unexpectedly after autoxidation of benzaldehyde during the slow evaporation process of a solution of isoniazid in benzaldehyde. The original intent of the synthesis was to modify isoniazid with benzaldehyde and crystallize the product in order to improve efficacy against Mycobacteria species, but benzoic acid formed spontaneously and co-crystallized with the intended product, N′-benzyl­idene­pyridine-4-carbohydrazide.

link to html
The title salt consists of three components, comprising one di­benzyl­ammonium cation, [(C6H5CH2)2NH2]+, one hydrogen (4-amino­phen­yl)arsonate anion, [H2NC6H4As(OH)O2], and one mol­ecule of water. In the crystal, these components are organized in infinite zigzag chains via inter­molecular hydrogen bonds. Weak inter­actions between the chains lead to a three-dimensional network.

link to html
The majority of the title mol­ecule is disordered over two closely spaced locations; the conformation is approximately U-shaped. In the crystal, chains of mol­ecules extending along the a-axis direction are formed by C—H⋯O and C—H⋯Cl hydrogen bonds and are connected into a corrugated layer structure parallel to the ab plane by C—H⋯O hydrogen bonds and C—H⋯π(ring) inter­actions.

link to html
The synthesis and single-crystal X-ray structure of a substituted quinoxaline compound is described.

link to html
The imidazolidine ring is slightly ruffled while the attached phenyl rings are rotated well out of its mean plane. In the crystal, N—H⋯O hydrogen bonds form inversion dimers, which are connected into layers parallel to (101) by C—H⋯O hydrogen bonds. The layers are connected into a three-dimensional network by additional C—H⋯O hydrogen bonds and C—H⋯π(ring) inter­actions.

link to html
The title mol­ecule adopts a cup-shaped conformation. In the crystal, layers lying parallel to the ab plane are formed by C—H⋯O hydrogen bonds and C—H⋯π(ring) inter­actions.

link to html
In the title mol­ecule, C17H16N2OS, the di­hydro­imidazolone ring is slightly puckered and the methyl­sulfanyl group is nearly coplanar with it.

link to html
The quinoxaline unit in the title mol­ecule is slightly puckered [dihedral angle between the rings = 2.07 (12)°] while the whole mol­ecule adopts an L-shaped conformation. The packing in the crystal is governed by C—H⋯O hydrogen bonds and slipped π-stacking inter­actions.

link to html
The title compound crystallizes in the triclinic P[\overline{1}] (Z = 2) space group as a half-sandwich complex resembling a three-legged piano stool. The crystal packing features C—H⋯F/I inter­actions.

link to html
The mol­ecular structure of the title compound, [Rh(BPHA)(CO)(AsPh3)] (where BPHA = N-benzoyl-N-phenyl­hydroxy­laminate), has a distorted square-planar coordination environment around the central RhI atom, defined by a CO2As coordination set.

link to html
The title compound is a symmetric diol derived from the pinacol coupling of cyclo­hexa­none. The asymmetric unit contains three complete mol­ecules. Cooperative hydrogen bonding connects the individual mol­ecules into infinite chains propagating along the crystallographic a-axis direction.

link to html
The title compound crystallizes with two different inversion-symmetric mol­ecules having a distorted octa­hedral {P4Cl2} coordination environment, and an average P—Ru—P bite angle of 71.1°.

link to html
The title compound is the constitutional isomer of α-hy­droxy­butanoic acid. In the crystal, hydrogen bonds involving the alcoholic hydroxyl group give rise to centrosymmetric dimers that are extended to sheets perpendicular to the crystallographic c axis.

link to html
The title compound, C14H12O4, was prepared via alkyl­ation of 4-hy­droxy-3-meth­oxy­benzoic acid with propargyl bromide in the presence of K2CO3.

link to html
(C8H20N)8[Mo10O34] comprises a centrosymmetric deca­molybdate polyanion linked through N—H⋯O hydrogen bonds to di­butyl­ammonium counter-cations.

link to html
In the crystal of the title compound, the mol­ecules are connected through C—H⋯O hydrogen bonds, generating [100] chains, which are crosslinked by weak π–π stacking inter­actions.

link to html
The title compound is a binuclear complex of molybdenum with a ethyl­enedi­amine­tretra­acetate ligand bridging two MoO3 units.

link to html
The single-crystal structure elucidation of diplodiatoxin, a toxic metabolite of Diplodia maydis, is described.

link to html
A heterologous holophytochrome overproduction system has been developed to produce large quantities of three holoprotein constructs of phytochrome B from S. bicolor for crystallization. The results showed that the diffraction quality of the crystals could be improved by removing flexible regions, shifting the fusion tag and changing the type of ligand.
Follow IUCr Journals
Sign up for e-alerts
Follow IUCr on Twitter
Follow us on facebook
Sign up for RSS feeds