Space groups and crystallographic symmetry: writing a multi-featured tutorial in a new style

Knowledge of space groups and the implications of space group symmetry on the physical and chemical properties of solids are pivotal factors in all areas of structural science. The tutorial contains > 200 PowerPoint `slides', in five modules, arranged by crystal class; a sixth module covers special topics. A `credits' module gives the direct addresses of all embedded links. In the tutorial, lattice points build iteratively and inter­actively with keyclick, and the coordinates of points `pop up' as the unit cell is filled.

Teaching space-group diagrams to chemistry students through a peer-tutoring approach

`Symmetry and Space Group Tutorial' (by Jerry P. Jasinski and Bruce M. Foxman) provides chemistry students an opportunity to learn space-group diagrams through the peer-tutoring approach.

Synthesis and crystal structure of 1-hy­droxy-8-methyl-9H-carbazole-2-carbaldehyde

Two crystallographically independent mol­ecules are present in the asymmetric unit. O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds form rings and chains and π–π stacks further connect mol­ecules in the crystal.

Two polymorphs of [Rh(μ-I)(COD)]₂

[Rh(μ-I)(COD)]₂ was found to crystallize as two different polymorphs in which the Rh dimer adopts either bent or planar geometries with respect to the Rh₂I₂ core.

Crystal structure and Hirshfeld surface analysis study of (E)-1-(4-chloro­phen­yl)-N-(4-ferrocenylphen­yl)methanimine

The unsubstituted cyclo­penta­dienyl ring is rotationally disordered while the other Cp ring and its substituent are close to coplanar. In the crystal, the mol­ecules pack in `bilayers' parallel to the ab plane with the ferrocenyl groups on the outer faces and the substituents directed towards the regions between them. The ferrocenyl groups are linked by C—H⋯π(ring) inter­actions.

Crystal structures and hydrogen-bonding analysis of a series of benzamide complexes of zinc(II) chloride

Five new bis­(aryl­amide)­dichlorido­zinc(II) complexes have been prepared and characterized. All of the complexes contain hydrogen bonds between the amide N—H group and the amide carbonyl oxygen atoms or the chlorine atoms, forming extended networks.

Crystal structure, Hirshfeld surface and photo­physical analysis of 2-nitro-3-phenyl-9H-carbazole

The title compound was synthesized from a di­nitro­biphenyl­benzene derivative using a novel modification of the Cadogan reaction. The reaction has several possible ring-closed products and the title compound was separated as the major product. It crystallizes in the monoclinic P space group and possesses a single closed Cadogan ring.

Crystal structure of N′-[2-(benzo[d]thia­zol-2-yl)acet­yl]benzohydrazide, an achiral compound crystallizing in space group P1 with Z = 1

The title compound crystallizes in space group P1 despite being achiral. Two classical hydrogen bonds link the mol­ecules to form a layer structure.

Crystal structure and Hirshfeld analysis of di­ethyl (2E,2′E)-3,3′-[1-(8-phenyl­isoquinolin-1-yl)-1H-indole-2,7-di­yl]diacrylate

In the mol­ecule of title compound, intra­molecular π–π inter­actions between the indole unit and benzene ring help to establish the clip-shaped conformation of the mol­ecule. In the crystal, the mol­ecules are assembled into two-dimensional layers via C—H⋯O hydrogen bonds, π–π and C—H⋯π inter­actions.

Crystal structure of (C₉H₁₇N₂)₃[Bi₂I₉]

The crystal structure of (C₉H₇N₂)₃Bi₂I₉ contains dinuclear [Bi₂I₉]³⁻ anions, formed by two face-sharing octa­hedra, and protonated 1,8-di­aza­bicyclo­[5.4.0]undec-7-ene (DBU) cations.

Crystal structure of 2-(2,6-diiso­propyl­phen­yl)-N,N-di­ethyl-3,3-di­methyl-2-aza­spiro­[4.5]decan-1-amine: a di­ethyl­amine adduct of a cyclic(alk­yl)(amino)­carbene (CAAC)

A di­ethyl­amine adduct of a cyclic(alk­yl)(amino)­carbene was synthesized and characterized by single-crystal X-ray diffraction and NMR spectroscopy.

Crystal structure and Hirshfeld surface analysis of (3Z)-7-meth­oxy-3-(2-phenyl­hydrazinyl­idene)-1-benzo­furan-2(3H)-one

Pairs of mol­ecules in the crystal are linked into dimers by N—H⋯O hydrogen bonds, forming an (12) ring motif. The dimers are connected through π–π stacking inter­actions between the centroids of the benzene and furan rings of their 2,3-di­hydro-1-benzo­furan ring systems. C—H⋯π inter­actions consolidate the crystal packing.

Crystal structures of phosphine-supported (η⁵-cyclo­penta­dien­yl)molybdenum(II) propionyl complexes

Solid-state structures are presented for three propionyl complexes of Mo^II featuring piano-stool geometries and supported by tri­aryl­phosphine ligands, showing the effects of para substitution on supra­molecular structure and allowing comparison to the large class of previously reported acetyl complexes.

Crystal structures of 2-[3,5-bis­(bromo­meth­yl)-2,4,6-tri­ethyl­benz­yl]isoindoline-1,3-dione and 2-{5-(bromo­meth­yl)-3-[(1,3-dioxoisoindolin-2-yl)meth­yl]-2,4,6-tri­ethyl­benz­yl}isoindoline-1,3-dione

The title compounds, C₂₃H₂₅Br₂NO₂ (1) and C₃₁H₂₉BrN₂O₄ (2), crystallize in the space group P2₁/n with two and one mol­ecules, respectively, in the asymmetric unit of the cell. The mol­ecular conformation of these compounds is stabilized by intra­molecular C—H⋯O hydrogen bonds and C—H⋯N or C—H⋯π inter­actions. The crystal structure of 1 features a relatively strong Br⋯O=C halogen bond, which is not observed in the case of 2. Both crystal structures are characterized by the presence of C—H⋯Br hydrogen bonds and numerous inter­molecular C—H⋯O hydrogen-bonding inter­actions.

LiNa₃(SO₄)₂·6H₂O: a lithium double salt causing trouble in the industrial conversion of Li₂SO₄ into LiOH

The crystal structure of LiNa₃(SO₄)₂·6H₂O is discussed. In the context of the production of LiOH for batteries, the formation of the double salt should be avoided. Detection of its presence by means of XRD is important.

Crystal structure and Hirshfeld surface analysis of (Z)-2-amino-4-(2,6-di­chloro­phen­yl)-5-(1-hy­droxy­ethyl­idene)-6-oxo-1-phenyl-1,4,5,6-tetra­hydro­pyridine-3-carbo­nitrile

The mol­ecular conformation of the title compound is stabilized by an intra­molecular O—H⋯O hydrogen bond, forming an S(6) ring motif. Inter­molecular N—H⋯N and C—H⋯N hydrogen bonds, as well as N—H⋯π and C—H⋯π inter­actions create a three-dimensional network in the crystal.

Synthesis and crystal structure of a heterobimetallic cadmium–sodium complex of 1,3,5-triazine-2,4,6-trione, [CdNa₂(C₃H₂N₃O₃)₄(H₂O)₈]

In the heterobimetallic cadmium–sodium complex, hepta­aqua-1κ³O,2κ²O,3κ²O-bis­(μ-4,6-dioxo-1,4,5,6-tetra­hydro-1,3,5-triazin-2-olato)-1:2κ²O²:N¹;2:3κ²N¹:O²-bis­(4,6-dioxo-1,4,5,6-tetra­hydro-1,3,5-triazin-2-olato)-1κO²,3κO²-2-cadmium-1,3-disodium, the ligand coordination around the Cd and Na atoms leads to the formation of a two-dimensional coordination polymer in the (110) plane, which is supported by means of a variety of N—H⋯O, O—H⋯O and O—H⋯N inter­molecular and intra­molecular inter­actions owing to different substitution patterns.

Synthesis, crystal structure and magnetic properties of poly[[di­aqua{μ₆-2-[bis­(carboxyl­atometh­yl)amino]­terephthalato}­dicobalt(II)] 1.6-hydrate]

The title compound, {[Co₂(C₁₂H₇NO₈)(H₂O)₂]·1.6H₂O}_n, features tetra­nuclear Co^II units bridged by κ³O:O:O′- and κ³O:O,O′-carboxyl­ate groups from deprotonated 2-aminodi­acetic terephthalic acid, which are joined into Co^II ribbons via syn–anti carboxyl­ate bridges. The parallel-aligned adtp⁴⁻ ligands with an alternately reversed arrangement further link adjacent Co^II ribbons into (010) layers, which are assembled into a three-dimensional supra­molecular architecture via inter­molecular hydrogen bonds.

Synthesis and crystal structure of catena-poly[[hexa­aqua{μ₃-2-[bis­(carboxyl­atometh­yl)amino]­terephthalato}dicobalt(II)] penta­hydrate] containing water tapes and penta­mers

The title compound consists of parallel stacked chains of composition {[Co₂(C₁₂H₇NO₈)(H₂O)₆]}_n in which Co^II cations are linked together through 2-aminodi­acetic terephthalate anions. The chains are held together by networks of hydrogen bonds involving both coordinated and free water mol­ecules in water tapes and penta­mers.

Crystal structure of bis­[cis-di­aqua­bis­(phen­anthro­line)cobalt(II)] bis­(citrato)germanate(IV) dinitrate

The mol­ecular and crystal structure of the [Co(H₂O)₂(phen)₂]₂[Ge(HCit)₂](NO₃)₂ (H₄Cit is citric acid, phen is 1,10-phenanthroline) compound was studied using X-ray diffraction analysis.

Low-temperature crystal structure of 4-chloro-1H-pyrazole

The crystal structure of 4-chloro-1H-pyrazole has been determined at 170 K, showing a hydrogen-bonded trimeric mol­ecular assembly that is isostructural to its bromo analogue, 4-bromo-1H-pyrazole.

Crystal structures of three N-(pyridine-2-carbon­yl)pyridine-2-carboxamides as potential ligands for supra­molecular chemistry

The crystal structures of three N-(pyridine-2-carbon­yl)pyridine-2-carboxamide ligands, with or without F atoms on the 3-position of the pyridine ring, with potential use in supra­molecular chemistry are reported.

Crystal structure and Hirshfeld surface analysis of (E)-1-[2,2-di­chloro-1-(4-methyl­phen­yl)ethen­yl]-2-(4-meth­oxy­phen­yl)diazene

Two similar mol­ecules make up the asymmetric unit of the title compound. The crystal structure features short C—H⋯Cl and C—H⋯O contacts and C—H⋯π and van der Waals inter­actions.