Recent improvements in DSR

D Kratzert, I Krossing - Applied Crystallography, 2018‏ - journals.iucr.org
The DSR computer program has received many minor and major updates over the past two
years. This publication describes some new features, such as disorder modelling on special …

The benefits and challenges of antibiotics–non-steroidal anti-inflammatory drugs non-covalent reaction

I Nugrahani, D Herawati, MS Wibowo - Molecules, 2023‏ - mdpi.com
Recently, non-covalent reactions have emerged as approaches to improve the
physicochemical properties of active pharmaceutical ingredients (API), including antibiotics …

Influence of Solvent Composition on the Crystal Morphology and Structure of p-Aminobenzoic Acid Crystallized from Mixed Ethanol and Nitromethane Solutions

I Rosbottom, CY Ma, TD Turner… - Crystal Growth & …, 2017‏ - ACS Publications
The crystallization of α-p-aminobenzoic acid (p ABA) from mixed solutions in ethanol (EtOH)
and nitromethane (NMe) is reported. From solutions with compositions> 60 wt% NMe, the …

Polymorphs of praziquantel–succinic acid cocrystal: Crystal structure, thermodynamic relationship, and improved pharmaceutical performance

L Wang, Q **e, X Shi, Y Zhu, S Li, F Ji, J Yu, D Li… - Journal of Molecular …, 2024‏ - Elsevier
Polymorphism is a ubiquitous phenomenon of critical significance for the pharmaceutical
industry, yet reports on cocrystal polymorphs are scarce. This study elucidates the crystal …

Dual-emitting Mn (II) and Zn (II) halide complexes with 9, 10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide as ligand

V Ferraro, J Castro, L Agostinis, M Bortoluzzi - Inorganica Chimica Acta, 2023‏ - Elsevier
Abstract The H-phosphinate 9, 10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide
(DOPO) acts as O-donor ligand towards manganese (II) and zinc (II) halides, with the …

Factors controlling persistent needle crystal growth: the importance of dominant one-dimensional secondary bonding, stacked structures, and van der Waals contact

F Civati, C O'Malley, A Erxleben… - Crystal Growth & …, 2021‏ - ACS Publications
Needle crystals can cause filtering and handling problems in industrial settings, and the
factors leading to a needle crystal morphology have been investigated. The crystal growth of …

Crystal Morphology and Interfacial Stability of RS-Ibuprofen in Relation to Its Molecular and Synthonic Structure

TTH Nguyen, I Rosbottom, I Marziano… - Crystal Growth & …, 2017‏ - ACS Publications
The key intermolecular (synthonic) interactions, crystal morphology, and surface interfacial
stability of the anti-inflammatory drug RS-ibuprofen are examined in relation to its bulk …

Behavior of occupied and void space in molecular crystal structures at high pressure

CJG Wilson, T Cervenka, PA Wood… - Crystal Growth & …, 2022‏ - ACS Publications
We report a Monte Carlo algorithm for calculation of occupied (“network”) and unoccupied
(“void”) space in crystal structures. The variation of the volumes of the voids and the network …

Formation of salts and molecular ionic cocrystals of fluoroquinolones and α, ω-dicarboxylic acids

C O'Malley, P McArdle, A Erxleben - Crystal Growth & Design, 2022‏ - ACS Publications
The cocrystallization of the fluoroquinolones ciprofloxacin (cip), norfloxacin (nor), and
enrofloxacin (enro) with the α, ω-dicarboxylic acids glutaric acid (glu), adipic acid (adi) …

[HTML][HTML] Intense millisecond-long red luminescence from heteroleptic Cu (I) 2, 1, 3-benzothiadiazole complexes

V Ferraro, M Girotto, J Castro, M Bortoluzzi - Dyes and Pigments, 2023‏ - Elsevier
Intense red-emitting heteroleptic Cu (I) complexes were isolated using 2, 1, 3-
benzothiadiazole (BTD) as N-donor ligand and triphenylphosphine, bis [(2 …