A periodic-like table of space groups

A periodic-like table of the 230 space groups, a sweeping overview in the spirit of the periodic table of the chemical elements, is presented. It organizes the 73 symmorphic space groups along two non-orthogonal axes of point group symmetry and general position multiplicity that separates the crystal systems in discrete color fields. The remaining non-symmorphic groups, for reasons of graphical economy, are enumerated as `isotopes' of their parent symmorphic groups.

The crystal structure of quaternary (Sn,Pb,Bi)Pt

The crystal structure of quaternary (Sn,Pb,Bi)Pt adopts the NiAs structure type with additional occupation of voids.

Synthesis, crystal structure and Hirshfeld surface analysis of di-μ₂-iodido-bis­[(2,2′-bi­quinoline-κ²N,N′)copper(I)]

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.

Syntheses and crystal structures of bis­(4-methyl­pyridine-κN)bis­(seleno­cyanato-κN)zinc(II) and catena-poly[[bis­(4-methyl­pyridine-κN)cadmium(II)]-di-μ-seleno­cyanato-κ²N:Se;κ²Se:N]

In the crystal structures of the title compounds, the Zn cations are tetra­hedrally coordinated forming discrete complexes, whereas the Cd cations are octa­hedrally coordinated in an alternating cis–cis–trans and all-trans coordination and are linked into corrugated chains by pairs of μ-1,3-bridging seleno­cyanate anions.

Crystal structure and Hirshfeld surface analysis of 1-[(E)-2-(3-nitro­phen­yl)diazen-1-yl]naphthalen-2-ol

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.

Synthesis, crystal structure and Hirshfeld surface analysis of the ortho­rhom­bic polymorph of 4-bromo-N-(4-bromo­benzyl­idene)aniline

The crystal structure of the ortho­rhom­bic polymorph of N-(4-bromo­benzyl­idene)-4-bromo­aniline, C₁₃H₉Br₂N, is reported for the first time. The mol­ecule is disordered about a crystallographic inversion center.

Syntheses and crystal structures of four 4-(4-nitro­phen­yl)piperazinium salts with hydrogen succinate, 4-amino­benzoate, 2-(4-chloro­phen­yl)acetate and 2,3,4,5,6-penta­fluoro­benzoate anions

The syntheses and low-temperature crystal structures of four organic salts of 4-(4-nitro­phen­yl)piperazine are presented.

Structures of S-(pyridin-2-yl) 4-nitro­benzo­thio­ate, S-(pyridin-2-yl) 4-methyl­benzo­thio­ate and S-(pyridin-2-yl) 4-meth­oxy­benzo­thio­ate: building blocks for low-symmetry multifunctional tetra­pyrroles

The structures of three S-(Pyridn-2-yl) benzo­thio­esters are presented with varying para-phenyl motifs (NO₂ in 1, CH₃ in 2, and OCH₃ in 3). These structures presented are the first in their class. Distinct changes are observed in the inter­action types present in the crystal lattice as a direct result of the electronic influence of the para-phenyl motif.

Bis(N,N-di­ethyl-4-methyl-4-piperazine-1-carboxamide) tetra­kis­(iso­thio­cyanato-κN)­cobalt(II), a model compound for the blue color developed in the Scott test

The structure of bis­(N,N-diethyl-4-methyl-4-piperazine-1-carboxamide) tetra­kis­(iso­thio­cyanto)cobalt(II) [or bis­(carbamazide) tetra­kis­(iso­thio­cyanato)­cobalt(II)] is reported. This complex represents an example of the compound found in the colormetric response in Scott's test.

Synthesis, crystal structure and thermal properties of di-μ-iodido-bis­[bis­(2-chloro­pyrazine-κN)copper(I)]

In the crystal structure of the title compound, the copper(I) cations are each tetra­hedrally coordinated by two 2-chloro­pyrazine ligands and two iodide anions and linked into binuclear complexes by pairs of μ-1,1-bridging iodide anions.

Crystal structures of 4-(2/3-meth­oxy­phen­oxy)phthalo­nitrile

The syntheses and crystal structures are reported of 4-phen­oxy-substituted phthalo­nitriles with meth­oxy groups in the ortho- and meta-positions of the terminal benzene rings. Short contacts play a more decisive role in the mol­ecular packing compared to van der Waals inter­actions.

Crystal structures of two 1,2,3,4-tetra­hydro­naphthalenes obtained during efforts towards the total synthesis of elisabethin A

The mol­ecular structures of methyl (R)-3-{(1R,4S)-6-meth­oxy-4,7-dimethyl-5,8-bis­[(triiso­propyl­sil­yl)­oxy]-1,2,3,4-tetra­hydro­naphthalen-1-yl}butano­ate and methyl (E)-3-{(1R,4S)-8-hy­droxy-6-meth­oxy-4,7-dimethyl-5-[(triiso­propyl­sil­yl)­oxy]-1,2,3,4-tetra­hydro­naphthalen-1-yl}acrylate exhibit the same configurations of the stereo centres in the 1,2,3,4-tetra­hydro­naphthalene moiety, the conformation of which is nearly identical in the two mol­ecules.

Bis[1,2-bis­(4-tert-butyl­phen­yl)ethyl­ene-1,2-di­thiol­ato(1−)]nickel(II) pentane 0.25-solvate

Square-planar bis­[1,2-bis­(4-tert-butyl­phen­yl)ethyl­ene-1,2-di­thiol­ato(1–)]nickel(II) crystallizes on a general position in chiral P4₁2₁2, where asymmetry is induced by twisting of the aryl rings due to inter­molecular ^tBu-C—H⋯ring_centroid inter­actions in the packing pattern.

Crystal structure and Hirshfeld surface analysis of iso­propyl 4-[2-fluoro-5-(tri­fluoro­meth­yl)phen­yl]-2,6,6-tri­methyl-5-oxo-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate

In the crystal, an infinite chain along the a-axis direction with a C(6) chain motif is formed by N—H⋯O hydrogen bonds. C—H⋯O and C—H⋯F inter­actions connect these chains, generating a three-dimensional network. In addition, C—H⋯π inter­actions connect the mol­ecules into layers parallel to the (100) plane.

Synthesis, analysis of mol­ecular and crystal structures, estimation of inter­molecular inter­actions and biological properties of 1-benzyl-6-fluoro-3-[5-(4-methylcyclo­hexyl)-1,2,4-oxa­diazol-3-yl]-7-(piperidin-1-yl)quinolin-4-one

The synthesis of the potential anti­microbial and anti­viral drug, 5-[1-benzyl-6-fluoro-7-(piperidin-1-yl)-quinolin-4(1H)-on-3-yl]-3-(4-methyl­cyclo­hex-1-yl)-1,2,4-oxa­diazole, was proposed. Its mol­ecular and crystal structures were defined and described, whereas the biological activity was predicted with mol­ecular docking.

Crystal structures of di-μ-chlorido-bis­({(E)-5-(ethyl­amino)-4-methyl-2-[(pyridin-2-yl)diazen­yl]phen­olato}copper(II)) and chlorido­bis­(1,10-phen­anthroline)copper(II) chloride tetra­hydrate

(E)-5-(Ethyl­amino)-4-methyl-2-[(pyridin-2-yl)diazen­yl]phenol forms a centrosymmetric dimeric Cu^II complex with a double apical-basal chlorido bridge between square-pyramidal Cu centers, while 1,10-phenanthroline forms a monomeric trigonal–bipyramidal cation with equatorial Cl ligand.

Crystal structures of 4-[(4-methyl­benz­yl)­oxy]benzohydrazide and its N′-[(thio­phen-2-yl)­methyl­idene]- derivative

The crystal and mol­ecular structures of a benzoyl­hydrazine bearing an ether group and of its N′-[(thio­phen-2-yl)­methyl­idene derivative are reported and compared.

Halogen-bonded co-crystal containing 1,3-di­iodo­perchloro­benzene and the photoproduct rtct-tetra­kis­(pyridin-4-yl)cyclo­butane resulting in a zigzag topology

The formation of a co-crystal with a zigzag topology sustained by halogen bonds involving the photoproduct rtct-tetra­kis­(pyridin-4-yl)cyclo­butane acting as a two connecting node is reported.

Synthesis, crystal structure and properties of bis­(iso­seleno­cyanato-κN)tetra­kis­(4-meth­oxy­pyridine-κN)cobalt(II)

In the crystal structure of the title compound, the cobalt cations are sixfold coordinated by two terminal N-bonded seleno­cyanate anions and four 4-meth­oxy­pyridine coligands within a slightly distorted octa­hedral coordination.

Crystal structures of the sulfones of 2,3-di­phenyl-2,3-di­hydro-4H-1,3-benzo­thia­zin-4-one and 2,3-di­phenyl-2,3-di­hydro-4H-pyrido[3,2-e][1,3]thia­zin-4-one

The title sulfones crystallize in space group P2₁/n with two mol­ecules in each of the asymmetric units and have almost identical unit cells and extended structures. In both structures, the thia­zine rings exhibit a screw-boat pucker.

Synthesis, crystal structure and Hirshfeld surface analysis of bis­[4-(2-amino­eth­yl)morpholine-κ²N,N′]di­aqua­nickel(II) dichloride

The title coordination complex, [Ni(C₆H₁₄N₂O)₂(H₂O)₂]Cl₂, crystallizes in the P2₁/n space group. The metal ion displays a slightly distorted octa­hedral geometry. The crystal structure is consolidated by N—H⋯Cl, N—H⋯O, C—H⋯Cl, C—H⋯O and O—H⋯Cl hydrogen bonding.

Crystal structure of a methyl benzoate quadruple-bonded dimolybdenum complex

The quadruple-bond complex, [Mo₂(p-O₂CC₆H₄CH₃)₄·2(C₄H₈O)]·2C₄H₈O, crystallizes within a triclinic space group P. The slightly electron donating group on the paddlewheel carboxyl­ate together with the axial THF negligibly perturbs the Mo—Mo bond distance.

Crystal structures of three newly synthesized flavanone hydrazones

The crystal structures of racemic mixtures of three new flavanone-hydrazones are reported: (±,E)-N′-[5,7-dihy­droxy-2-(4-hy­droxy­phen­yl)chroman-4-yl­idene]-2-(naphthalen-1-yl)acetohydrazide ethyl acetate monosolvate, (±,E)-N′-[5,7-dihy­droxy-2-(4-hy­droxy­phen­yl)chroman-4-yl­idene]-4-hy­droxy­benzohydrazide ethanol monosolvate and (±,E)-N′-(6-meth­oxy-2-phenyl­chroman-4-yl­idene)-2-(naphthalen-1-yl­oxy)acetohydrazide. All three hydrazones are in the E isomeric form and exhibit a pucker at the chiral carbon atom. The naringenin-derived hydrazones both show intra­molecular hydrogen bonding between the hydrazone nitro­gen atom and a hy­droxy group on the chromane ring.

Syntheses and crystal structure of a (2,6-diiso­propyldi­naphtho­[2,1-d:1′,2′-f][1,3]dithiepin-4-yl)(phen­yl)methanol atropisomer

The mol­ecular and crystal structure is reported for the major diastereoisomer formed in a sterically hindered reaction of a substituted di­naphtho­dithiepine. The structure lends support to a reaction mechanism and transition state postulated to explain the experimentally determined preferential formation of this diastereoisomer over the minor component.