issue contents
July 2022 issue
research communications
The crystals of methyl 3,5-dimethylbenzoate are composed of strands of C—H⋯O=C bonded molecules, which are further arranged into layers. As a result of the presence of two bromomethyl substituents in 3,5-bis(bromomethyl)phenyl acetate, molecular dimers formed by crystallographically non-equivalent molecules are connected to structurally different two-dimensional aggregates in which the bromine atoms participate in Br⋯Br bonds of type I and type II. In the case of 5-hydroxybenzene-1,3-dicarbaldehyde,which possesses three donor/acceptor substituents, the molecular association in the crystal creates a close three-dimensional network comprising Caryl—H⋯Ohydroxy, Cformyl—H⋯Oformyl and O—H⋯Oformyl bonds.
The methoxy group lies very close to the plane of the phenyl ring while the acetamido group is twisted out of this plane. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds form layers of molecules parallel to the ab plane. The layers are connected by C—H⋯Cl hydrogen bonds and C—H⋯π(ring) interactions, forming a three-dimensional structure.
CCDC reference: 2175514
The whole molecule of the title compound is generated by twofold rotational symmetry. In the crystal, molecules are linked by intermolecular C—H⋯O interactions with (12) ring motifs, and C—H⋯π interactions, resulting in ribbons along the c-axis direction. The molecular packing is consolidated by van der Waals interactions between these ribbons.
CCDC reference: 2173928
In the crystal, neighboring molecules are linked into layers parallel to the (200) plane via C—H⋯O hydrogen bonds and C—H⋯π interactions. van der Waals interactions between parallel molecular layers help to strengthen the packing.
CCDC reference: 2176709
The synthesis and crystal structure of rac-2-[7-methyl-4-(4-methylphenyl)-4-(phenylimino)-6,6-bis(propan-2-yl)-3-oxa-4λ6-thia-5-aza-6-silaoct-4-en-1-yl]-2,3-dihydro-1H-isoindole-1,3-dione are reported.
CCDC reference: 2163661
The title compounds arose as unexpected by-products of an iodination reaction: in each case the fused-ring and isoxazole planes are almost perpendicular to each other.
Four novel piperazinium salts are reported, and based on 1-phenylpiperazinium as a common cation in the asymmetric units that include additionally water molecules, and different P-substituent benzoate anions or a trifluoroacetate anion. They are hydrated and there are three crystallized as 1:1 salts while the fourth is a 2:2 salt. Their crystal packing depends on strong ribbons or sheets stabilized by hydrogen bonds of type N—H⋯O and O—H⋯O and other interactions as C—H⋯O, C—H⋯π and C—H⋯F in the trifluoroacetate-based one.
The structures of the three related compounds dichloridobis(quinoline N-oxide-κO)zinc(II); dibromidobis(quinoline N-oxide-κO)zinc(II) and diiodidobis(quinoline N-oxide-κO)zinc(II) are presented.
The packing of the title disubstituted ferrocene derivative is stabilized by weak C—H⋯X (X = I, Cl), C—H⋯π(Cp) and C—Cl⋯π(phenyl) interactions, building a three-dimensional network. The cation has planar chirality with Sp(Fc) absolute configuration. The structure of the title compound is compared with related disubstituted (trimethylammonio)methyl ferrocenes.
CCDC reference: 2177602
A new phase in the quaternary system K2O–Na2O–CaO–SiO2 with idealized composition (K1.5Na0.5)Ca3Si3O10 has been structurally characterized. The results indicate the existence of a solid-solution series K2–xNaxCa3Si3O10.
CCDC reference: 2178743
C—H⋯Br interactions connect molecules in the crystal, resulting in zigzag C(8) chains along the [100] direction. C—Br⋯π interactions connect these chains into parallel layers to (002). van der Waals interactions between the layers aid in the cohesion of the crystal packing.
CCDC reference: 2178832
The isostructural title compounds arose as unexpected single-crystal products from the reactions of Na2CO3, MO2 (M = Zr, Hf) and As2O5 in a NaCl/CsCl eutectic flux.
The title compound resulted from the condensation reaction between 1,3-bis{[(4-methoxyphenyl)methyl]amino}propan-2-ol and 2-hydroxybenzaldehyde in CH3OH. The structure exhibits disorder of one of the 4-methoxybenzyl groups, the hydroxy group bonded to the 1,3-diazinan ring, and the methyl group of the methoxy residue. The crystal packing is sustained by C—H⋯O and O—H⋯π interactions, giving rise to infinite chains running along the b-axis direction.
CCDC reference: 2092230
The crystal structure of β-KCoFe(PO4)2 is isotypic with that of KZnFe(PO4)2.
CCDC reference: 2181684
The centrosymmetric trans-NiN4O2 coordination polyhedra of the Ni2+ ions in the complex cations and anions of the title compound are tetragonally distorted octahedra. In the crystal, O—H⋯O hydrogen bonds between the phosphonate groups of the anions result in the formation of layers oriented parallel to the bc plane, which are further arranged into a three-dimensional network due to hydrogen-bonding involving the macrocyclic di-aqua cations and water molecules.
CCDC reference: 2178456
The crystal structures of the title compounds consist of discrete complexes, in which the metal cations are octahedrally coordinated.