Disodium zinc germanium tetraoxide

Hydrothermally grown single crystals of the title compound, Na₂ZnGeO₄, are monoclinic [space group Pn (No.7)]. The structure is confirmed; recognition of the true monoclinic symmetry with pseudo-orthorhombic twinning enabled refinement to R = 0.022 from data measured at 150K.

2,2'-Iminodipyridinium(1+) di­chlorotri­phenylstannate and 2,2'-iminodipyridinium(1+) tri­cyclo­hexylbis(tri­fluoro­acetato)stannate

The Sn atom in 2,2^'-iminodipyridinium(1+) dichlorotriphenylstannate, (C₁₀H₁₀N₃)[SnCl₂(C₆H₅)₃], shows trans-C₃SnCl₂ trigonal-bipyramidal coordination. The stannate anion is linked by hydrogen bonds to adjacent counter-ions to form a chain. 2,2^'-Iminodipyridinium(1+) bis(trifluoroacetato)tricyclohexylstannate, (C₁₀H₁₀N₃)[Sn(C₂F₃O₂)(C₆H₁₁)₃], adopts a similar hydrogen-bonded chain structure.

trans-Bis(tert-butylisocyanido-C)bis­(tri­phenylphosphine-P)rhodium(I) nido-7,8-dicarbaundecarboranide

In the crystal structure of the title compound, the Rh atom lies on an inversion centre and has a square-planar geometry with Rh—P = 2.3217(6), Rh—C = 1.954(2)Å and P—Rh—C = 86.74(7)°. The carborane anion lies about a twofold axis and is disordered.

Octa­carbonyl-1κ⁴C,2κ⁴C-μ-di­cyclo­hexylphosphido-1:2κ²P:P-tri­phenylphosphine-2κP-silverdirhenium(2 Re–-Ag)

The title compound shows a nearly planar PRe₂Ag ring with significantly different Re—Ag single-bond lengths of 2.7957(7) and 2.8235(7)Å.

Bromo(1,10-phenanthroline-N,N')(tri­phenylphosphine)copper(I)

In the structure of the title complex, [CuBr(phen)(PPh₃)], the coordination polyhedron with copper as the central atom is a distorted tetrahedron, with two N atoms of phenathroline, one Br atom and one P atom of PPh₃ occupying the four corners.

Bis(2,2'-bi­pyridine)(pyridine-2-carboxylate)ruthenium(II) hexa­fluorophosphate at 173K

The structure of the title compound, bis(2,2^'-bipyridine-N,N^')(pyridine-2-carboxylate-N,O)ruthenium( II) hexafluorophosphate, determined at 173K, is in good agreement with the structure determined at 295K [Canty et al. (1997). Inorg. Chim. Acta, 255, 117–123]. The coordination formed by five N atoms and one O atom around the Ru^II ion deviates substantially from octahedral symmetry. The relatively large thermal parameters of the F atoms in the PF₆ anion can be assumed as being due to substantial rigid group vibrations.

Domperidone maleate

Domperidone maleate or 4-[5-chloro-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl]-1-[(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]piperidinium maleate, an antiemetic drug, crystallizes as a 2.5-hydrate. The hydrogen-bonding interactions between the drug molecule, the maleate group and the water molecules stabilize the molecules in the lattice. Further stability comes from stacking interactions among the benzimidazole rings.

N-tert-Butyl-3-oxo-4-aza-5β,17β-androstane-17-carboxamide methanol solvate, a finasteride impurity

The title compound was isolated during impurity profiling of the drug finasteride. This molecule is a saturated form of finasteride where the A/B ring junction is cis. The compound is a methanol solvate and there are hydrogen-bonding interactions between the androstane and methanol solvate molecules.

Estradiol methanol hemisolvate

Initiation and progress of the majority of breast cancer cases are influenced by a family of hormones called estrogens. Estradiol is one of the three naturally occurring estrogens. This submission reports estradiol in a previously unknown crystal modification as the methanol hemisolvate.

N,N'-Di­ethyl-4,4'-bipyridinium diiodide

In the title compound, each I atom is situated 3.80Å from the ring centroid of a nearby pyridium ring, with shortest iodide contacts to that ring in the range 4.02–4.05Å. The closest contacts from iodide to the dication are in the range 3.77–4.05Å, with shortest distances to the N and ortho-C atoms of 3.843(3) and 3.770(4)Å, respectively.

2,2,6,6-Tetra­methyl-4-(methylsulfonyl­oxy)piperidinyl 1-oxide

The title compound is a stable radical with the piperidine ring adopting a chair conformation. The nitroxyl bond length is 1.283(2)Å and the N—O^. bond forms an angle of 19.9 (2)° with the CNC plane; the C—N—C angle is 124.5 (2)°.

Di­methyl 2-(5,8-di­chloro-10-oxotri­cyclo[7.3.2.0^2,7]tetradeca-2(7),3,5,11-tetraen-6-ylmethyl)malonate

The title compound is a tricyclic polyfunctional system bearing an aromatic ring with a chlorine and a methylmalonate substituent, and a bicyclo[3.3.2]decane subunit with another chlorine and an enone functionality.

Redetermination of tert-butylhydrazinium chloride

The structure of the title compound, [(CH₃)₃CNH₂NH₂]Cl, first determined by Hökelek & Yag~basen [Acta Cryst. (1988), C44, 723–725], has been redetermined. In contrast to the previous investigation, no hydrochloride moiety was found. The present structure consists of [(CH₃)₃C(NH₂)(NH₂)]⁺ cations and Cl⁻ anions connected by hydrogen bonds.

(±)-(3'aα,3'bα,6'aα,7'aα)- and (±)-(3'aα,3'bβ,6'aβ,7'aα)-2,3,3a,3b,4,5,6,6a,7,7a-deca­hydro-5,5-di­methylspiro[1,3-dioxane-2,5'-pentaleno[2,1-b]furan]-2'-one

The crystal structures of the title compounds, (±)-(3^'aα,3^'bα,-6^'aα,7^'aα)-, (I), and (±)-(3^'aα,3^'bβ,6^'aβ,7^'aα)-, (II), have been determined at 134 and 135 K, respectively. The pentaleno[2,1-b]furan group has an endo conformation in (I) and an exo conformation in (II). The axial C—C bond attached to the spiro center is about 0.02Å longer than the equatorial C—C bond.

Polymeric triammine­tetra­kis­(μ-cyano)dicuprate(I)copper(II)

The crystal structure of the title mixed-valence copper–cyanide complex comprises infinite polymeric double chains. The geometry about the Cu^I centres is approximately trigonal pyramidal, and each Cu^II centre adopts a slightly distorted square-pyramidal coordination, with one NH₃ ligand being disordered equally over two alternative sites.

A mixed transition metal molybdate, β-(Co_0.7Fe_0.3)MoO₄

The crystal structure of the mixed transition-metal molybdate β-AMoO₄, with A = 30% Fe and 70% Co, is built up from AO₆ octahedra and MoO₄ tetrahedra. The Fe and Co distribution is different for the two A sites.

Potassium β''-aluminogallate

The title compound is a non-stoichiometric ionic conductor with the chemical formula K_1.67Mg_0.67(Al_10.33-xGa_x)O₁₇, where x = 1.75. This corresponds to a 17% gallium substitution of the aluminium spinel block framework. The gallium substitution influences the mobile K⁺ ion distribution and hence the ion conductivity.

(NH₄)₂[Mg₄(H₂O)₁₈(H₂W₁₂O₄₂)]^.10H₂O, a new compound containing chains formed by magnesium and paradodecahedral tungstate ions

The polyanion chain, extending along the b direction, is formed by MgO₆ octahedra sharing O atoms from different paradodecatungstate groups.

K₂NbAlO₂[(As,Nb)O₄]₂, isostructural with KTiOPO₄

The title compound, potassium niobium aluminium arsenate (KNAA), is isostructural with KTiOPO₄ (KTP). In KNAA, the site corresponding to the Ti1 sites of KTP is occupied mostly by Nb atoms, the Ti2 site is occupied predominantly by Al atoms, and the As1 and As2 tetrahedral sites are occupied mostly by As atoms.

Zinc cadmium thio­cyanate (ZCTC)

The title non-linear optical material has tetrahedral Zn and Cd atoms connected in a three-dimensional network by Cd—S=C=N—Zn bridges which are linear at C and N, but bent at S.

Polyphosphates de strontium Sr(PO₃)₂ formes β et γ

The structure of γ-Sr(PO₃)₂ consists of (Sr₄O₂₂)_n double chains and infinite (PO₃)_n polyphosphate chains linked together by sharing edges and corners. The structure of β-Sr(PO₃)₂ has been redetermined.

Sodium zinc hydroxide selenite, NaZn₂(OH)(SeO₃)₂

The title compound is built up from ZnO₆ octahedra, SeO₃ pyramids and NaO₄ tetrahedra, sharing vertices and edges. It is iso- structural with NaCo₂(OH)(SeO₃)₂.

Ba₂GaH(P₂O₇)₂

Dibarium gallium hydrogen bis(diphosphate) was synthesized by high temperature–pressure hydrothermal reaction. The structure consists of infinite chains of corner-sharing GaO₆ octahedra and H_0.5P₂O₇ groups, which are topologically similar to that found in Cs₂GaH₃(P₂O₇)₂.

A complex containing Cu^I linearly coordinated by two tetracyclic tetra­amines

The square-pyramidal Pd^II complex of a cross-bridged tetra­azamacrocycle

cis-Bis(cyano­methyl)bis­(tri­phenylphosphine)platinum(II)–di­chloro­methane (1/0.6)

cis-Bis(phenoxyacetato-O)bis­(tri­phenylphosphine-P)platinum(II) di­chloro­methane solvate

Bis[1-hy­droxy-3-methylpyridine-2(1H)-thionato-O,S]nickel(II)

[4-(4-Methylphenyl)-3,5-bis­(2-pyridyl)-4H-1,2,4-triazole]bis­(tri­phenylphosphine)silver(I) perchlorate

Diamminebis(2,4,6-tri­chlorophenolato)copper(II)

{[μ-N,N'-Bis(salicyl­idene)-1,3-propanediaminato]-copper(II)}di­chloromercury(II)

Ammonium di­aqua(ethylenedi­amine­tetra­acetato)scandium(III) trihydrate

catena-Poly[[di­aqua(3-cyanobenzoato-O,O')erbium]-bis-μ-(3-cyanobenzoato-O:O')]

Bis(4,4'-disulfanediyldipyridinium) di-μ-chloro-bis­[di­chlorocuprate(II)] bis­(tetra­fluoroborate)

(1,4-Dioxane-O){3,3',5,5'-tetra­chloro-2,2'-[4-methyl-4-azaheptane-1,7-diylbis(nitrilo­methyl­idyne-N)]diphenolato-O,O'}nickel(II), [Ni(3,5-Cl₄salMetrien)]

Tri-n-butyl(N-maleoyl-β-alaninato)tin

(N-Maleoylme­thioninato)tri­methyltin(IV)

Dimeric (pyrazole-N²)(N-salicyl­idene-2,2-di­methylglycinato-O,N,O')copper(II) pyrazole solvate

Bis[2-(2-ethoxyethyl)-N,N,N',N'-tetra­ethylmalondi­amide-O¹,O³]tris­(nitrato-O,O')lanthanum(III)

Bis[μ-2,2',2''-nitrilotri­ethane­thiolato(2 –)-N,S,S':S']dinickel(II)

trans-Di­aquabis(3-hydroxybenzoato-O)bis­(nicotinamide-N¹)cobalt(II)

[Fe(HL)Cl₂]^.EtOH, where HL is the monoanion of benzoylacetone S-n-propyliso­thiosemicarbazone

N,N,N',N'-Tetra­methylguanidinium tetra­chloro­antimonate(III) at 295 and 92K

Bis(di­cyclo­hexylammonium) tri­butyl(nitrilotri­acetato)stannate

μ-Oxo-bis­[mer-tri­chlorobis(tetra­hydro­furan-O)zirconium(IV)]

[N,N'-Bis(5-methoxysalicyl­idene)-1,2-di­phenyl-1,2-ethenedi­amine]oxovanadium(IV)

Aqua(benzo-15-crown-5)lithium–hexa-μ-iodo­tetracopper–benzo-15-crown-5 (2/1/2), bis­[bis­(benzo-15-crown-5)caesium] hexa-μ-iodo­tetracopper and μ-aqua-bis­[aqua(18-crown-6)sodium] hexa-μ-iodo­tetracopper

Tetra­aqua(2,2'-bi­pyridyl-N,N')cadmium(II) sulfate and catena-poly[[[di­aqua(2,2'-bi­pyridyl-N,N')cadmium(II)]-μ-(sulfato-O:O')] hydrate]

(6-Chloropyridin-2-yl)iodobis(tri­phenylphosphine)palladium(II)

Commensurately modulated 1/4 and 1/5 phases of deuterated betaine calcium chloride dihydrate: a neutron structural study

The structures of the commensurate 1/4 and 1/5 phases of the displacively modulated compound D-BCCD [deuterated betaine (trimethylammonioacetate) calcium chloride dihydrate, i.e. (CD₃)₃NCD₂COOCaCl₂(D₂O)₂ or CaCl₂^.C₅D₁₁NO₂^.2D₂O] have been determined by single-crystal neutron diffraction at 100 and 68 K, respectively. The structural model of the 1/4 phase is found to be quite different from that obtained previously from X-ray diffraction data of the hydrogenated compound.

Polymorphs of [(2S,3S)-α-Me-N,N'-bis­(salicyl­idene)butane-2,3-diaminato]bis­(pyridine)cobalt(III) tetra­fluoroborate hydrate

A maleate-bridged dinuclear bi­pyridine-containing zinc(II) complex

A dihomonuclear complex: di-μ-methacrylato-O:O'-bis­[(1,10-phenanthroline-N,N')bis­(methacrylato-O,O')ytterbium(III)]

Tri­carbonylchromium complexes of four methyl 4,6-O-[(η⁶-phenyl)alkyl­idene]-α-D-gluco­pyranosides

Bis{2-[1-(thiosemicarbazono)ethyl]pyridinium} hexa­kis­(nitrato-O,O')thorate(IV) tetra­methanol solvate

Chloro(p-chloroanilido-N)bis­(η⁵-penta­methylcyclo­pentadienyl)uranium(IV)

Tetra­kis­(μ-6-chloropyridin-2-olato)methoxydiruthenium(II, III)

Four interpenetrating three-dimensional frameworks in the hydrogen-bonded structure of 5-hydroxyisophthalic acid–4,4'-tri­methylenedi­pyridine (1/1)

Linking of C⁴₄(32)[R⁴₄(30)] chains of rings in the hydrogen-bonded adduct 3,5-di­hydroxybenzoic acid–4,4'-bi­pyridine (2/3) by means of π⋯π stacking interactions

2,2'-Bi-2-imidazoline

1,4,7,10,13,16,21,24-Octa­azabi­cyclo[8.8.8]hexacosa-4,6,13,15,21,23-hexa­ene pentahydrate

C—H⋯O interactions in di­methyl 6,6'-di­meth­oxy-3,3',5,5'-tetra­methylbi­phenyl-2,2'-di­carboxylate

Hydrogen bonding and C—H⋯X interactions in two triclinic phases of 4-carboxyquinolinium chloride monohydrate

Bis(1,10-phenanthrolin-1-ium) chlorodiiodide(1 –) di­chloroiodide(1 –)

1,10-Phenanthrolinium(2+) di­chloroiodide(1 –) chloride

3,9-Di­methyl-1,11-di­phenyl-4,8-di­azaundecane-1,11-dione dihydrate

3,3-Di­chloro-1,4-di­phenylazetidin-2-one

1,2,3,4,5,6,7,8-Octa­hydro-3,3,6,6-tetra­methylacridine-1,8-dione

Two tetra­methylxanthenediones

Bis[4-(2-methoxycarbonyl-5-thienyl)]phenyl ether

Methyl 1-(4-chloro­benzyl)-2-oxo­cyclo­hexane-1-carboxylate and methyl (2RS,4aRS,8aRS)-2-(4-chloro­benzyl)-3-oxoperhydro­naphthalene-2-carboxylate

Intramolecular N—H⋯π(phenyl) and intermolecular C—H⋯π(phenyl) interactions in 5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidino-1,6-naphthyridine-8-carbo­nitrile--benzene(2/1)

Chloro(diiso­propylamino)(phenyl)phosphine sulfide

9-(4H-1,2,4-Triazol-4-ylimino)-4,5-di­azafluorene

8-Méthyl-1,3-diphényl-4,5,6,6a,7,8-hexa­hydro­cyclo­penta[b][1,2,4]triazolo[4,3-a]benzodiazépin-7-one

4-(Tri­phenylmethyl)phenol–tri­phenylphosphine oxide (1/1)

2-(2,3:5,6-Di-O-iso­propyl­idene-β-D-manno­furanosyl)-N,N-(penta­methylene)ethane­thio­amide

Bis(hydrazinium) 4-hy­droxy-1-oxo-2H-phthalazine-6,7-di­carboxylate

1-Hy­droxy-2(1H)-pyridine­thione

The oxidized form of gluta­thione

1-N,2-O-Carbonyl-3,5-O-iso­propyl­idene-1-N-[(2R)-2-methyl-3-oxo­pentanoyl]-α-D-xylo­furanosylamine

1,4,7,10-Tetraoxa­cyclodo­decane–acetone thiosemicarbazone (1/2)

N,N'-Bis(2-tosylamino­benzyl­idene)-1,3-propanedi­amine

Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. III. The L-leucine and L-valine series

Hydrogen bonding and C—H⋯O interactions in bis­(8-di­methylamino-1-di­methylammonio­naphthalene) [(DMANH⁺)₂] 4,8-di­carboxynaphthalene-1,5-di­carboxylate dihydrate

9-(2-De­oxy-α-D-ribo­furanosyl)-7-iodo-7-de­azaadenine

Azole. 42. Über Nitro­piperidinoimidazolderivate

Iso­quinoline

N⁶,N⁶-Di­methyladenine–tetra­iodoethene (2/1)

Cholest-5-ene-3β,4β-diyl di­acetate

Tri­phenylselenonium iodide

Cocrystallization of two conformers of (2S,3S,9S,10S)-2,3,9,10-tetra­phenyl-1,4,8,11-tetraoxa­cyclo­tetra­decane-6,13-dione

Methyl 1-(tert-butoxycarbonyl-L-alanyl-L-leucylamino)cyclo­octane-1-carboxylate

Tri­chloro[(Z)-2-chloro-1,2-di­phenylvinyl]tellurium(IV)

1,3a,5-Tri­phenyl-3a,4,5,6-tetra­hydro-1,2,4-oxa­diazolo[4,5-a][1,5]benzodiazepine

Methyltri­phenylphosphonium 2-methyl-1-sulfido-1,2-dicarba-closo-dodecaborane(12)

N,N'-Di­phenylbenzamidinium nitrate

1,3-Di­methylisoguanine trihydrate

(+)-(2S,7R,9R,10S)-2-Ethenyl-4,4,7-tri­methyl-3-(toluene-4-sulfonyl)-3,4,4a,5,6,7,8,8a-octa­hydro-2H-1,3-benzoxazine

Propane-1,3-di­ammonium diperchlorate

Tautomérie de la 4-(hydroxyphénylméthylène) isochroman-1,3 dione à l'état solide

Bis(1,3-dioxan-2-yl)arenes: precursors to linked porphyrins

Absolute configuration of isocurcumenol

The absolute configuration of an intermediate cyclic sulfoximine in the asymmetric synthesis of transition-state analog inhibitors of γ-glutamylcysteine synthetase

(+)- and (±)-ketopinic acid: hydrogen-bonding patterns in a β-keto acid in its enantiomeric and racemic forms and enantiomeric disordering in the racemate

(2S,SR)-tert-Butyl 2-(p-tolylsulfinylacetyl)pyrrolidine-1-carboxylate

Intermolecular N—H⋯N and C—H⋯O interactions from one-dimensional chains comprising the two independent molecues of N,N'-di­cyclo­hexyl-N-nicotinoylurea