forthcoming articles

The following articles are a selection of those recently accepted for publication in IUCr journals.

Journal logoActa Crystallographica Section A
Acta Crystallographica
Section A
FOUNDATIONS AND ADVANCES
Accepted 22 August 2024

An alternative method to the Takagi–Taupin equations for studying dark-field X-ray microscopy of deformed crystals


Accepted 13 August 2024

Influence of device configuration and noise on a machine learning predictor for the selection of nanoparticle small-angle X-ray scattering models


Accepted 2 August 2024

Symmetries and symmetry-generated averages of elastic constants up to the sixth order of nonlinearity for all crystal classes, isotropy and transverse isotropy

Relationships between high-order nonlinear stiffness constants for all elastic symmetries are derived, together with expressions for averaging the constants of general anisotropy by any of the symmetries.
Journal logoActa Crystallographica Section B
Acta Crystallographica
Section B
STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

Accepted 3 September 2024

The seventh blind test of crystal structure prediction: structure ranking methods

Lily M. Hunnisett, Nicholas Francia, Jonas Nyman, Nathan S. Abraham, Srinivasulu Aitipamula, Tamador Alkhidir, Mubarak Almehairbi, Andrea Anelli, Dylan M. Anstine, John E. Anthony, Joseph E. Arnold, Faezeh Bahrami, Michael A. Bellucci, Gregory J. O. Beran, Rajni M. Bhardwaj, Raffaello Bianco, Joanna A. Bis, A. Daniel Boese, James Bramley, Doris E. Braun, Patrick W. V. Butler, Joseph Cadden, Stephen Carino, Ctirad Červinka, Eric J. Chan, Chao Chang, Sarah M. Clarke, Simon J. Coles, Cameron J. Cook, Richard I. Cooper, Tom Darden, Graeme M. Day, Wenda Deng, Hanno Dietrich, Antonio DiPasquale, Bhausaheb Dhokale, Bouke P. van Eijck, Mark R. J. Elsegood, Dzmitry Firaha, Wenbo Fu, Kaori Fukuzawa, Nikolaos Galanakis, Hitoshi Goto, Chandler Greenwell, Rui Guo, Jürgen Harter, Julian Helfferich, Johannes Hoja, John Hone, Richard Hong, Michal Hušák, Yasuhiro Ikabata, Olexandr Isayev, Ommair Ishaque, Varsha Jain, Yingdi Jin, Aling Jing, Erin R. Johnson, Ian Jones, K. V. Jovan Jose, Elena A. Kabova, Adam Keates, Paul F. Kelly, Jiří Klimeš, Veronika Kostková, He Li, Xiaolu Lin, Alexander List, Congcong Liu, Yifei Michelle Liu, Zenghui Liu, Ivor Lončarić, Joseph W. Lubach, Jan Ludík, Alexander A. Maryewski, Noa Marom, Hiroyuki Matsui, Alessandra Mattei, R. Alex Mayo, John W. Melkumov, Bruno Mladineo, Sharmarke Mohamed, Zahrasadat Momenzadeh Abardeh, Hari S. Muddana, Naofumi Nakayama, Kamal Singh Nayal, Marcus A. Neumann, Rahul Nikhar, Shigeaki Obata, Dana O'Connor, Artem R. Oganov, Koji Okuwaki, Alberto Otero-de-la-Roza, Sean Parkin, Antonio Parunov, Rafał Podeszwa, Alastair J. A. Price, Louise S. Price, Sarah L. Price, Michael R. Probert, Angeles Pulido, Gunjan Rajendra Ramteke, Atta Ur Rehman, Susan M. Reutzel-Edens, Jutta Rogal, Marta J. Ross, Adrian F. Rumson, Ghazala Sadiq, Zeinab M. Saeed, Alireza Salimi, Kiran Sasikumar, Sivakumar Sekharan, Kenneth Shankland, Baimei Shi, Xuekun Shi, Kotaro Shinohara, A. Geoffrey Skillman, Hongxing Song, Nina Strasser, Jacco van de Streek, Isaac J. Sugden, Guangxu Sun, Krzysztof Szalewicz, Lu Tan, Kehan Tang, Frank Tarczynski, Christopher R. Taylor, Alexandre Tkatchenko, Petr Touš, Mark E. Tuckerman, Pablo A. Unzueta, Yohei Utsumi, Leslie Vogt-Maranto, Jake Weatherston, Luke J. Wilkinson, Robert D. Willacy, Lukasz Wojtas, Grahame R. Woollam, Yi Yang, Zhuocen Yang, Etsuo Yonemochi, Xin Yue, Qun Zeng, Tian Zhou, Yunfei Zhou, Roman Zubatyuk and Jason C. Cole
The results of the seventh blind test of crystal structure prediction are presented, focusing on structure ranking methods.

Accepted 24 August 2024

Determining magnetic structures in GSAS-II using the Bilbao Crystallographic Server tool k-SUBGROUPSMAG

Possible commensurate magnetic structures from neutron powder diffraction data are explored via the Bilbao Crystallographic Server tool k-SUBGROUPSMAG called from within GSAS-II which allows easy survey of the results and selection of the best magnetic structure model.

Accepted 20 August 2024

Search for missing symmetry in the Inorganic Crystal Structure Database (ICSD)

An exhaustive search for missing symmetry was performed for 223 076 entries of the ICSD. About 0.65% of the entries can be described by[with] higher symmetry than reported. It is proposed that the information is included in the ICSD.

Accepted 15 August 2024

A recapitulation of magnetic space groups and their UNI symbols

The mathematical structure, description and classification of magnetic space groups are briefly reviewed, with special emphasis on the new unified (UNI) magnetic space-group symbols.

Accepted 15 August 2024

Synthesis and structural study of the partially disordered complex hexagonal phase δ1-MnZn9.7

A detailed structural characterization of the MnZn10–x (x = 0.3) phase is presented.

Accepted 15 August 2024

Low-dimensional metal–organic frameworks: a pathway to design, explore and tune magnetic structures

Magnetic metal–organic frameworks are candidate materials for investigating two-dimensional phenomena. The magnetic structures of deuterated formate Co(DCOO)2ยท2D2O has been studied by neutron powder diffraction.

Accepted 2 August 2024

Magnetic structure of the noncentrosymmetric magnet Sr2MnSi2O7 through irreducible representation and magnetic space group analyses

Magnetic structure study on the noncentrosymmetric magnet Sr2MnSi2O7 using irreducible representation and magnetic space group analyses based on data from neutron diffraction, and magnetometry measurements

Accepted 1 August 2024

A comprehensive characterization of thiophosgene in the solid state

Thio­phosgene crystallizes in space group P63/m with two rotationally disordered molecules in the unit cell. The IR, Raman and inelastic neutron scattering spectra of solid thiophosgene are reported for the first time.

Accepted 31 July 2024

On the magnetic and crystal structures of NiO and MnO

The magnetic and crystal structures of manganese and nickel monoxides have been analysed for possible multi-k solutions and compared with high-resolution neutron diffraction data.

Accepted 30 July 2024

The seventh blind test of crystal structure prediction: structure generation methods

Lily M. Hunnisett, Jonas Nyman, Nicholas Francia, Nathan S. Abraham, Claire S. Adjiman, Srinivasulu Aitipamula, Tamador Alkhidir, Mubarak Almehairbi, Andrea Anelli, Dylan M. Anstine, John E. Anthony, Joseph E. Arnold, Faezeh Bahrami, Michael A. Bellucci, Rajni M. Bhardwaj, Imanuel Bier, Joanna A. Bis, A. Daniel Boese, David H. Bowskill, James Bramley, Jan Gerit Brandenburg, Doris E. Braun, Patrick W. V. Butler, Joseph Cadden, Stephen Carino, Eric J. Chan, Chao Chang, Bingqing Cheng, Sarah M. Clarke, Simon J. Coles, Richard I. Cooper, Ricky Couch, Ramon Cuadrado, Tom Darden, Graeme M. Day, Hanno Dietrich, Yiming Ding, Antonio DiPasquale, Bhausaheb Dhokale, Bouke P. van Eijck, Mark R. J. Elsegood, Dzmitry Firaha, Wenbo Fu, Kaori Fukuzawa, Joseph Glover, Hitoshi Goto, Chandler Greenwell, Rui Guo, Jürgen Harter, Julian Helfferich, Detlef W. M. Hofmann, Johannes Hoja, John Hone, Richard Hong, Geoffrey Hutchison, Yasuhiro Ikabata, Olexandr Isayev, Ommair Ishaque, Varsha Jain, Yingdi Jin, Aling Jing, Erin R. Johnson, Ian Jones, K. V. Jovan Jose, Elena A. Kabova, Adam Keates, Paul F. Kelly, Dmitry Khakimov, Stefanos Konstantinopoulos, Liudmila N. Kuleshova, He Li, Xiaolu Lin, Alexander List, Congcong Liu, Yifei Michelle Liu, Zenghui Liu, Zhi-Pan Liu, Joseph W. Lubach, Noa Marom, Alexander A. Maryewski, Hiroyuki Matsui, Alessandra Mattei, R. Alex Mayo, John W. Melkumov, Sharmarke Mohamed, Zahrasadat Momenzadeh Abardeh, Hari S. Muddana, Naofumi Nakayama, Kamal Singh Nayal, Marcus A. Neumann, Rahul Nikhar, Shigeaki Obata, Dana O'Connor, Artem R. Oganov, Koji Okuwaki, Alberto Otero-de-la-Roza, Constantinos C. Pantelides, Sean Parkin, Chris J. Pickard, Luca Pilia, Tatyana Pivina, Rafał Podeszwa, Alastair J. A. Price, Louise S. Price, Sarah L. Price, Michael R. Probert, Angeles Pulido, Gunjan Rajendra Ramteke, Atta Ur Rehman, Susan M. Reutzel-Edens, Jutta Rogal, Marta J. Ross, Adrian F. Rumson, Ghazala Sadiq, Zeinab M. Saeed, Alireza Salimi, Matteo Salvalaglio, Leticia Sanders de Almada, Kiran Sasikumar, Sivakumar Sekharan, Cheng Shang, Kenneth Shankland, Kotaro Shinohara, Baimei Shi, Xuekun Shi, A. Geoffrey Skillman, Hongxing Song, Nina Strasser, Jacco van de Streek, Isaac J. Sugden, Guangxu Sun, Krzysztof Szalewicz, Benjamin I. Tan, Lu Tan, Frank Tarczynski, Christopher R. Taylor, Alexandre Tkatchenko, Rithwik Tom, Mark E. Tuckerman, Yohei Utsumi, Leslie Vogt-Maranto, Jake Weatherston, Luke J. Wilkinson, Robert D. Willacy, Lukasz Wojtas, Grahame R. Woollam, Zhuocen Yang, Etsuo Yonemochi, Xin Yue, Qun Zeng, Yizu Zhang, Tian Zhou, Yunfei Zhou, Roman Zubatyuk and Jason C. Cole
The results of the seventh blind test of crystal structure prediction are presented, focusing on structure generation methods.

more ...
Journal logoActa Crystallographica Section C
Acta Crystallographica
Section C
STRUCTURAL CHEMISTRY

Accepted 9 September 2024

Structural insights into supra­molecular inter­actions in isostructural salts of 2,4,6-tri­amino­pyrimidinium with various heterocyclic carboxyl­ates

2,4,6-Tri­amino­pyrimidine is an inter­esting and challenging mol­ecule due to the presence of multiple hy­dro­gen-bond donors and acceptors. Four new salts have been synthesized and characterized by single-crystal X-ray diffraction techniques and their noncovalent inter­actions and supra­molecular patterns have been investigated.

Accepted 8 September 2024

Hydrogen-bonding inter­actions in the salts 2,4,6-tri­amino­pyrimidin-1-ium sorbate dihydrate, 2,4,6-tri­amino­pyrimidin-1-ium N-phenyl­antharanilate and 2,4,6-tri­amino­pyrimidin-1-ium p-toluene­sulfonate

Three salts, namely, 2,4,6-tri­amino­pyrimidin-1-ium sorbate dihydrate, 2,4,6-tri­amino­pyrimidin-1-ium N-phenyl­anthranilate and 2,4,6-tri­amino­pyrimidin-1-ium p-toluene­sulfonate were synthesized and characterized by X-ray diffraction techniques and their hy­dro­gen-bonding and π–π stacking inter­actions investigated.
Journal logoActa Crystallographica Section D
Acta Crystallographica
Section D
STRUCTURAL BIOLOGY

Accepted 3 September 2024

Utilizing anomalous signals for element identification in macromolecular crystallography

This paper examines the application of anomalous scattering for the identification of elements within crystal structures of macromolecules.

Accepted 27 August 2024

Robust and automatic beamstop shadow outlier rejection: combining crystallographic statistics with modern clustering under a semi-supervised learning strategy

Beamstops and beamstop shadows can lead to erroneous reflection measurements in crystallographic diffraction experiments, which is a common problem in data processing. Here, a method is presented that combines crystallographic statistics with machine learning to robustly detect such reflections.
Journal logoActa Crystallographica Section E
Acta Crystallographica
Section E
CRYSTALLOGRAPHIC COMMUNICATIONS

Accepted 12 September 2024

Synthesis, crystal structure and Hirshfeld surface analysis of (2-amino-1-methyl­benzimidazole-κN3)aqua­bis­(4-oxopent-2-en-2-olato-κ2O,O′)nickel(II) ethanol monosolvate

The title compound, C18H25N3NiO5·C2H6O was synthesized from acetyl­acetone and benzimidazole derivative. There are two independent complex mol­ecules in the asymmetric unit, which are linked by N—H⋯O and O—H⋯O hydrogen bonds along [111].

Accepted 11 September 2024

Crystal structures of the (η22-cyclo­octa-1,5-diene)(η6-toluene)­iridium(I) cation and μ-chlorido-iridium(III) complexes of 2-(phosphinito)- and 2-(phosphinometh­yl)anthra­quinone ligands

Phosphinito and phosphinomethyl ligands incorporating an anthra­quinone moiety were reacted with bis­(cyclo­octa-1,5-diene)diiridium(I) dichloride to afford novel diiridium species. Intended as pincer-type tridentate ligands, bidentate binding modes were determined by X-ray crystallography. The anionic μ-tri­chlorido phosphinito complex formed is charged-balanced by one [Ir(toluene)(cyclo­octa-1,5-diene)]+ per asymmetric unit, the structure of which has not previously been reported despite a long history of use as an IrI source in organometallic chemistry.

Accepted 11 September 2024

Crystal structure and Hirshfeld surface analysis of (E)-N-(2-styrylphen­yl)benzene­sulfonamide

The crystal structure of the title compound C20H17NO2S features hydrogen-bonding and C—H⋯π. Docking studies show that it has a strong binding affinity with EGFR kinase, indicating its potential as a promising candidate for targeted lung cancer therapy.

Accepted 10 September 2024

Coupling between 2-pyridyl­selenyl chloride and phenyl­seleno­cyanate: synthesis, crystal structure and non-covalent inter­actions

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.

Accepted 9 September 2024

Synthesis, characterization, and crystal structure of hexa­kis­(1-methyl-1H-imidazole-κN3)zinc(II) dinitrate

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.

Accepted 4 September 2024

Crystal structure, Hirshfeld surface analysis, and calculations of inter­molecular inter­action energies and energy frameworks of 1-[(1-hexyl-1H-1,2,3-triazol-4-yl)meth­yl]-3-(1-methyl­ethen­yl)-benzimidazol-2-one

In the title mol­ecule, the benzimidazole moiety is oriented almost perpendicular to the triazole ring. In the crystal, C—H⋯O hydrogen bonds link the mol­ecules into a network structure.

Accepted 17 July 2024

Variable temperature studies of tetra­pyridine­silver(I) hexa­fluoro­phosphate and tetra­pyridine­silver(I) hexa­fluoro­anti­monate

Structures of tetra­pyridine­silver(I) hexa­fluoro­phosphate and tetra­pyridine silver(I) hexa­fluoro­anti­monate are reported from data collected at 300 K and 100 K.
Journal logoActa Crystallographica Section F
Acta Crystallographica
Section F
STRUCTURAL BIOLOGY COMMUNICATIONS

Accepted 9 September 2024

Crystal structure of guanosine 5′-monophosphate synthetase from the thermophilic bacterium Thermus thermophilus HB8

Guanosine 5′-monophosphate (GMP) synthetase (GuaA) catalyzes the last step of GMP synthesis in the purine nucleotide biosynthetic pathway. In this study, the crystal structure of an XMP-bound form of GuaA from the thermophilic bacterium T. thermophilus HB8 was determined at a resolution of 2.20 Å and that of an apo form was determined at 2.10 Å resolution.

Accepted 30 August 2024

Ternary structure of Plasmodium vivax N-myristoyltransferase with myristoyl-CoA and inhibitor IMP-0001173

The 2.3 Å resolution ternary structure of the essential P. vivax N-myristoyltransferase with myristoyl-CoA and a peptide-binding domain inhibitor is reported as part of ongoing efforts by the SSGCID for the rational design of new therapeutics for malaria.

Accepted 17 August 2024

First crystal structure of the DUF2436 domain of virulence proteins from Porphyromonas gingivalis

The DUF2436 domain of unknown function is highly conserved in virulence proteins from the pathogenic oral bacterium P. gingivalis. The domain exhibits a noncanonical β-jelly-roll sandwich topology with a previously unobserved fold consisting of two antiparallel β-sheets and one short α-helix.
Journal logoJournal of Applied Crystallography Journal of Applied
Crystallography

Accepted 7 September 2024

Electronic angle focusing for neutron time-of-flight powder diffractometers

Here, a wide-angle short-pulse spallation neutron detector bank provides opportunity for data processing to make a pseudo-constant wavelength powder diffraction pattern.

Accepted 23 August 2024

Link between body-centered cubic–face-centered cubic orientation relationship and austenite morphology in CF8M stainless steel

The microstructural properties of duplex stainless steel are studied on a wide range of scales using a large electron backscatter diffraction data set. Image analysis techniques are coupled to crystallographic data analysis to extract relevant features from a complex microstructure.

Accepted 23 August 2024

Data quality in laboratory convergent-beam X-ray total scattering

The influence of instrument resolution effects on reduced atomic pair distribution function data in a convergent-beam laboratory X-ray diffractometer is demonstrated.

Accepted 23 August 2024

Pinhole small-angle neutron scattering-based approach for desmearing slit ultra-small-angle neutron scattering data

This study presents a new approach for accurately desmearing slit-smeared ultra-small-angle neutron scattering (USANS) data, ensuring a methodologically robust approach. The proposed technique, validated on porous anodized aluminium oxide membranes, facilitates the precise merging of USANS and small-angle neutron scattering data, offering improved data analysis capabilities in the mesoscale structural research domain.

Accepted 19 August 2024

Simulation of diffraction patterns for Ruddlesden–Popper (RP) tetragonal structures with RP faults

A theoretical analysis of diffraction patterns is presented for two representatives of layered perovskite-type tetragonal phases of the Ruddlesden–Popper (RP) series, containing RP faults in a wide range of concentrations.

Accepted 17 August 2024

Deconstructing 3D growth rates from transmission microscopy images of facetted crystals captured in situ within supersaturated aqueous solutions

Here, the crystal growth rate of the basal plane {010} face of β-form L-glutamic acid is, for the first time, estimated based on the shadow image widths of the prismatic {021} faces, hence demonstrating the evolution of approaches for the in situ characterization of 3D crystal shape and size as part of wider research into digital crystallization process engineering, encompassing morphological population balance modelling and crystalliser hydro­dynamics.

Accepted 15 August 2024

Twinning and homo-epitaxy cooperation in the already rich growth morphology of CaCO3 polymorphs. II. Calcite

A theoretical investigation is presented of the homo-epitaxies among the three {10.4}-cleavage, {01.2}-steep and {01.8}-flat rhombohedra of calcite.

Accepted 15 August 2024

SUBGROUPS: a computer tool at the Bilbao Crystallographic Server for the study of pseudo-symmetric or distorted structures

Documentation is presented for the SUBGROUPS tool at the Bilbao Crystallographic Server for automated discovery of the paths for group–subgroup related structures.

Accepted 12 August 2024

Towards dynamically configured databases for CIFs: the new modulated structures open database at the Bilbao Crystallographic Server

The conceptual exploitation of the CIF scheme allows the design of databases without deep programming knowledge. With this approach, the modulated structures open database B-IncStrDB, the official International Union of Crystallography repository for this type of material already available through the Bilbao Crystallographic Server, has been re-implemented.

Accepted 12 August 2024

Measurable structure factors of dense dispersions containing polydisperse optically inhomogeneous particles

The influence of optical inhomogeneities of polydisperse particles on measurable structure factors is analysed.

more ...
Journal logoJournal of Synchrotron Radiation Journal of
Synchrotron Radiation

Accepted 22 August 2024

Coprecipitation of Ce(III) oxide with UO2


Accepted 15 August 2024

X-ray ghost imaging with a specially developed beam splitter

Compared with traditional imaging methods, the non-local characteristics of ghost imaging have the ability to greatly reduce the radiation dose of X-ray imaging in principle, and has important application prospects in radiation-sensitive fields such as biomedicine. Here a specially developed beam splitter applicable for the efficient implementation of X-ray ghost imaging is described.

Accepted 15 August 2024

High-transmission spectrometer for rapid resonant inelastic soft X-ray scattering (rRIXS) maps

A high-transmission soft X-ray spectrometer has been developed and commissioned at the X-SPEC beamline of the KIT Light Source. With this spectrometer, single spectra can be measured with exposure times well below 1 s, allowing the rapid collection of full resonant inelastic soft X-ray scattering maps in less than one minute.
IUCrJ
Accepted 30 August 2024

Tuning structural modulation and magnetic properties in metal–organic coordination polymers [CH3NH3]CoxNi1−x(HCOO)3

We show that the modulated phase transitions in solid solutions of [CH3NH3]CoxNi1−x(HCOO)3, with x = 0.25 (1), x = 0.50 (2) and x = 0.75 (3), can be tuned by the metal ratio, using variable-temperature single-crystal and powder neutron diffraction measurements and bulk magnetometry.

Accepted 25 August 2024

Structure of MltG from Mycobacterium abscessus reveals structural plasticity between composed domains

We provide the structure of MltG of the lytic transglycosyl­ase family in this study. We show that MltG has a flexible peptidoglycan-binding domain and exists as a monomer in solution. Further, the putative active site of Mycobacterium abscessus MltG has been revealed using structural analysis and sequence comparison. This research significantly advances our comprehension of the transglycosyl­ation process mediated by the MltG family, providing valuable insights that can inform the development of next-generation antibiotics to specifically target M. abscessus.

Accepted 23 August 2024

Quantum refinement in real and reciprocal space using the Phenix and ORCA software

We present a new implementation of quantum refinement using the widely used Phenix and ORCA software. We show applications on a neutron structure of Mn superoxide dismutase, X-ray structures of V- and Fe-nitro­genase and a cryo-EM structure of particulate methane monooxygenase.
Journal logoIUCrData
IUCrData

Accepted 12 September 2024

Δ-Bis[(S)-2-(4-iso­propyl-4,5-di­hydro­oxazol-2-yl)phenolato-κ2N,O1](1,10-phenanthroline-κ2N,N′)ruthenium(III) hexa­fluorido­phosphate

The title compound is an example for a chiral-at-metal complex, with the RuIII atom having an octa­hedral coordination environment by three bidentate ligands.

Accepted 11 September 2024

Ti4Fe2C0.82O0.18

Ti4Fe2C0.82O0.18 is the first example where C and O atoms co-occupy the same site in filled Ti2Fe structures.

Accepted 11 September 2024

C-type Yb2Te3O9

Yb2Te3O9 is isotypic with Tm2Te3O9 and Lu2Te3O9 and crystallizes in the C-type modification of Ln2Te3O9 compounds.

Accepted 10 September 2024

(1R,2S,4aR,6S,8R,8aS)-1-(3-Hy­droxy­propano­yl)-1,3,6,8-tetra­methyl-1,2,4a,5,6,7,8,8a-octa­hydronaphthalene-2-carb­oxy­lic acid

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

Accepted 10 September 2024

Redetermined structure of methyl 3-{4,4-di­fluoro-2-[2-(meth­oxy­car­bon­yl)­ethyl]-1,3,5,7-tetra­methyl-4-bora-3a,4a-di­aza-s-in­dacen-6-yl}pro­pion­ate

In the title compound, a highly fluorescent boron–dipyrromethene dye, the methyl­propionate moieties have different conformations. In the crystal, weak C—H⋯F and C—H⋯O inter­actions link the mol­ecules.

Accepted 2 September 2024

2-Bromo­acetamide

The title compound, C2H4BrNO, crystallizes in the monoclinic space group P21/c with one mol­ecule in the asymmetric unit.


Follow IUCr Journals
Sign up for e-alerts
Follow IUCr on Twitter
Follow us on facebook
Sign up for RSS feeds