Aqua­(phthalocyaninato)magnesium n‐propyl­amine disolvate

The crystals of the title compound, [Mg(C₃₂H₁₆N₈)(H₂O)]·2C₃H₉N, are built up from MgPc(H₂O) [Pc is phthalo­cyaninate(2−)] and n‐propyl­amine mol­ecules that inter­act via O—H⋯N hydrogen bonds. The MgPc(H₂O) mol­ecule is non‐planar. The central Mg atom is coordinated by the four equatorial isoindole N atoms of the Pc ring system and by the O atom of an axial water mol­ecule. The Mg atom is displaced by 0.509 (1) Å from the N₄ plane towards the water O atom. MgPc(H₂O)·2(n‐propyl­amine) mol­ecules related by the inversion centre are linked by N—H⋯O hydrogen bonds to form a dimeric aggregate.     

Two novel glycine metal halogenides: catena‐poly[[[diaqua­nickel(II)]‐di‐μ‐glycine] dibromide] and catena‐poly[[[tetra­aqua­magnesium(II)]‐μ‐glycine] dichloride]

In catena‐poly[[[diaqua­nickel(II)]‐di‐μ‐glycine] dibromide], {[Ni(C₂H₅NO₂)₂(H₂O)₂]Br₂}_n, (I), the Ni atom is located on an inversion centre. In catena‐poly[[[tetra­aqua­magnesium(II)]‐μ‐glycine] dichloride], {[Mg(C₂H₅NO₂)(H₂O)₄]Cl₂}_n, (II), the Mg atom and the non‐H atoms of the glycine mol­ecule are located on a mirror plane. All other atoms are located on general positions. The atomic arrangements of both compounds are characterized by [MO₆] octa­hedra (M = Ni or Mg) connected by glycine mol­ecules, with the halogenide ions in the inter­stices. In (I), four of the coordinating O atoms are from glycine and two are from water mol­ecules, building layers of octa­hedra and organic mol­ecules. In (II), two of the coordinating O atoms are from glycine and four are from water mol­ecules. The octa­hedra and organic mol­ecules form chains.     

Diaqua­malonato(1,10‐phenanthro­line)­zinc(II)

In the crystal structure of the title complex, [Zn(C₃H₂O₄)(C₁₂H₈N₂)(H₂O)₂], the Zn^II atom displays a distorted octa­hedral geometry, being coordinated by two N atoms from the 1,10‐phenanthroline ligand, two O atoms from different carboxyl­ate groups of the chelating malonate dianion and two O atoms of cis water mol­ecules. The complex mol­ecules are linked to form a three‐dimensional supramolecular array by both hydrogen‐bonding inter­actions between coordinated water molecules and the uncoordinated carboxyl­ate O atoms of neighboring mol­ecules, and aromatic π–π stacking inter­actions between neighboring phenanthroline rings.     

Di­aqua(2,2′‐bi­pyridine)­malonato­manganese(II)

In the crystal structure of the title compound, [Mn(C₃H₂O₄)(C₁₀H₈N₂)(H₂O)₂], the Mn^II atom demonstrates a distorted octahedral geometry, being coordinated by two N atoms of a 2,2′‐bi­pyridine ligand, two O atoms from the carboxyl­ate groups of the chelating malonate dianion and two O atoms of two cis water mol­ecules. The complex mol­ecules are linked to form a three‐dimensional supramolecular array by both hydrogen‐bonding interactions between coordinated water and the carboxyl­ate groups of neighboring mol­ecules and aromatic π–π‐stacking interactions of the bi­pyridine rings.     

Aqua­(di‐2‐pyridylamine)oxalato­copper(II) monohydrate

In the structure of the title complex, [Cu(C₂O₄)(C₁₀H₉N₃)(H₂O)]·H₂O, the Cu^II atom displays a square‐pyramidal geometry, being coordinated by two N atoms from the di‐2‐pyridylamine ligand, two O atoms from the oxalate group and one O atom of a water mol­ecule. The complex mol­ecules are linked to form a three‐dimensional supra­molecular array by hydrogen‐bonding inter­actions between coordinated/uncoordinated water mol­ecules and the uncoordinated oxalate O atoms of neighboring mol­ecules.     

Copper(II) and zinc(II) complexes of pyridine‐2,6‐di­carboxyl­ic acid

The title compounds, bis­(pyridine‐2,6‐di­carboxyl­ato‐N,O,O′)copper(II) monohydrate, [Cu(C₇H₄NO₄)₂]·H₂O, andbis(pyridine‐2,6‐dicarboxylato‐N,O,O′)zinc(II) trihydrate, [Zn(C₇H₄NO₄)₂]·3H₂O, have distorted octahedral geometries about the metal centres. Both metal ions are bonded to four O atoms and two pyridyl‐N atoms from the two terdentate ligand mol­ecules, which are nearly perpendicular to each other. The copper(II) complex has twofold crystallographic symmetry and contains two different ligand mol­ecules, one of which is neutral and another doubly ionized. In contrast, the zinc(II) complex contains two identical singly ionized ligand mol­ecules. Both crystal structures are stabilized by O—H?O intermolecular hydrogen bonds between the complex and the water mol­ecules.     

catena‐Poly[[[tetra­aqua­zinc(II)]‐μ‐4,4′‐bipyridine] bis­(4‐hydroxy­benzene­sulfonate) trihydrate]

In the title compound, {[Zn(C₁₀H₈N₂)(H₂O)₄](C₆H₅O₄S)₂·3H₂O}_n, the Zn atom, the bipyridine ligand and one of water mol­ecules are located on twofold rotation axes. The Zn atom is coordinated by four O atoms from four water mol­ecules and two N atoms from two 4,4′‐bipyridine mol­ecules in a distorted octa­hedral geometry. The Zn²⁺ ions are linked by the 4,4′‐bipyridine mol­ecules to form a one‐dimensional straight chain propagating along the c axis. The 4‐hydroxy­benzene­sulfonate counter‐ions are bridged by the solvent water mol­ecules through hydrogen bonds to generate a two‐dimensional layer featuring large pores. In the crystal packing, the intra­layer pores form one‐dimensional channels along the c axis, in which the one‐dimensional [Zn(C₁₀H₈N₂)(H₂O)₄]²⁺ chains are encapsulated. Electrostatic inter­actions between cations and anions and extensive hydrogen bonds result in a three‐dimensional supra­molecular structure.     

trans‐Di­aqua­bis(5‐carboxy‐1H‐imidazole‐4‐carboxyl­ato‐κ2N3,O4)­cobalt(II) 4,4′‐bi­pyridine solvate

In the title compound, [Co(C₅H₃N₂O₄)₂(H₂O)₂]·C₁₀H₈N₂, the Co atom is trans‐coordinated by two pairs of N and O atoms from two monoanionic 4,5‐di­carboxy­imidazole ligands, and by two O atoms from two coordinated water mol­ecules, in a distorted octahedral geometry. The 4,4′‐bi­pyridine solvent molecule is not involved in coordination but is linked by an N—H⋯N hydrogen bond to the neutral [Co(C₅H₃N₂O₄)₂(H₂O)₂] mol­ecule. Both mol­ecules are located on inversion centers. The crystal packing is stabilized by N—H⋯N and O—H⋯O hydrogen bonds, which produce a three‐dimensional hydrogen‐bonded network. Offset π–π stacking interactions between the pyridine rings of adjacent 4,4′‐bi­pyridine molecules were observed, with a face‐to‐face distance of 3.345 (1) Å.     

A simple compound with an ­unexpectedly complex structure: 4‐pyridone 6/5‐hydrate

The crystal structure of the title compound, C₅H₅NO·H₂O, contains five independent mol­ecules of pyridone and six independent water mol­ecules. The space group is P2₁, but four of the pyridones and four waters correspond closely to P2₁/n. The packing involves two layers; one consists of head‐to‐tail chains of pyridone mol­ecules 1–4 linked by N—H?O hydrogen bonds, and a second layer involves all the waters and the fifth pyridone. The layers are linked by hydrogen bonds from water to pyridone oxy­gen. The four water O atoms that accept only one classical hydrogen bond have their environment completed by C—H?O interactions.     

Orientational disorder of [Mg(H2O)6] octa­hedra in the novel magnesium selenite hydrate Mg(SeO3)·7.5H2O

The crystal structure of magnesium selenite 7.5‐hydrate, Mg(SeO₃)·7.5H₂O (space group P6₃/mmc), is characterized by two crystallographically distinct [Mg(H₂O)₆]²⁺ octa­hedra, one of which is disordered over two different orientations. The selenite groups and water mol­ecules (with partially disordered H atoms) bridge the octa­hedra via hydrogen bonds. All the atoms are located on special positions, except for one water mol­ecule.     

Methyl 1‐(4‐chloro­benzyl)‐2‐(4‐methyl­piperazin‐1‐yl)‐1H‐benz­imidazole‐5‐carboxyl­ate hemihydrate

The title compound, C₂₁H₂₃ClN₄O₂·0.5H₂O, contains two independent mol­ecules in the asymmetric unit. In each mol­ecule the piperazine ring adopts a chair conformation; the deviations of the piperazine N atoms from the best plane through the remaining four C atoms are ?0.678 (3) and 0.662 (3) Å in mol­ecule A, and 0.687 (3) and ?0.700 (3) Å in mol­ecule B. The mol­ecules are linked by two hydrogen bonds of the O—H?N type involving the O atom of the water mol­ecule of crystallization.     

Polymeric aqua(nitrilotriacetato)erbium(III)

In the structure of the title compound, [Er(C₆H₆NO₆)(H₂O)]_n, the Er atoms are eight‐coordinated by one N atom and six O atoms from three symmetry‐related nitrilo­tri­acetate (NTA) ligands, and by one O atom of a water mol­ecule, adopting a distorted square‐antiprismatic geometry. The Er atoms are linked by the NTA ligands into layers, which are interconnected via O—H?O hydrogen bonds between the water mol­ecules and the carboxyl­ate O atoms. The asymmetric unit contains one Er atom, one NTA ligand and one water mol­ecule, all of which are located in general positions.     

trans‐Diaquabis(1H‐imidazole‐4,5‐di­carboxyl­ate‐κ2N3,O4)­manganese(II)

In the title compound, [Mn(C₅H₃N₂O₄)₂(H₂O)₂], the Mn^II atom lies on an inversion centre, is trans‐coordinated by two N,O‐bidentate 1H‐imidazole‐4,5‐di­carboxyl­ate monoanionic ligands [Mn—O = 2.202 (3) Å and Mn—N = 2.201 (4) Å] and two water mol­ecules [Mn—O = 2.197 (4) Å], and exhibits a distorted octahedral geometry, with adjacent cis angles of 76.45 (13), 86.09 (13) and 89.20 (13)°. The complete solid‐state structure can be described as a three‐dimensional supramol­ecular framework, stabilized by extensive hydrogen‐bonding interactions involving the coordinated water mol­ecules, the carboxy O atoms and the protonated imidazole N atoms of the imidazole‐4,5‐di­carboxyl­ate ligands.     

μ‐Aqua‐penta­aqua­[μ‐3,6‐bis(6‐methyl‐2‐pyridyl)­pyridazine]­chloro­dinickel(II) trichloride trihydrate

The title compound, μ‐aqua‐1:2κ²O‐penta­aqua‐1κ²O,2κ³O‐μ‐3,6‐bis(6‐methyl‐2‐pyridyl)­pyridazine‐1κ²N¹,N⁶:2κ²N²,N³‐chloro‐1κCl‐dinickel(II) trichloride trihydrate, [Ni₂Cl(C₁₆H₁₄­N₄)(H₂O)₆]Cl₃·3H₂O, consists of two Ni^II atoms, a 3,6‐bis(6‐methyl‐2‐pyridyl)­pyridazine mol­ecule, four Cl atoms and nine water mol­ecules. The two Ni atoms are octahedrally coordinated by N and Cl atoms, and by water mol­ecules, and the three six‐membered rings, a pyridazine and two picolines, are planar to within 0.181 (3) Å. The crystal structure is stabilized by an intra‐ and intermolecular hydrogen‐bonding scheme involving water–water and water–chlorine interactions.     

Chlor­amine‐B sesquihydrate

In the title compound, sodium N‐chloro­benzene­sulfon­amide sesquihydrate, Na⁺·C₆H₅ClNO₂S^?·1.5H₂O, the sodium ion exhibits octahedral coordination by O atoms from three water mol­ecules and by three sulfonyl O atoms of three different N‐­chloro­benzene­sulfon­amide anions. A two‐dimensional polymeric layer consists of units, each comprising two face‐sharing octahedra which share four corners with four other such units, the layer running parallel to the ab plane. The water mol­ecules participate in hydrogen bonds of the types O—H?O, O—H?N and O—H?Cl.     

Tris(ethyl­ene­diamine)­nickel(II) bis­[2‐cyano‐2‐(oxidoimino)­acetamidato]­nickelate(II) monohydrate

The title compound, [Ni(C₂H₈N₂)₃][Ni(C₃HN₃O₂)₂]·H₂O, appears to be a modular associate consisting of two complex counter‐ions, containing bivalent nickel as the central atom in both cases, and a solvent water mol­ecule. The Ni^II ion in the complex cation lies on the C₂ crystallographic axis. Its coordination environment is formed by six N atoms of three ethyl­ene­diamine (en) mol­ecules, representing a distorted octa­hedral geometry. The Ni^II ion in the complex anion occupies a position at the center of inversion. It exhibits a distorted square‐planar coordination geometry formed by four N atoms belonging to the deprotonated oxidoimine and amide groups of the two doubly charged 2‐cyano‐2‐(oxidoimino)acetamidate anions, situated in trans positions with respect to each other. In the crystal packing, the complex anions are linked by water mol­ecules via hydrogen bonds between the amide O atoms and water H atoms, forming chains translated along the a direction. The [Ni(en)₃]²⁺ cations fill empty spaces between the translational chains, connecting them by hydrogen bonds between the oxime and amide O atoms of the anions and the amine H atoms of the cations, forming layers along the ac plane. The water mol­ecules provide connection between layers through N atoms of the cations, thus forming a three‐dimensional modular structure.     

μ‐3,4′‐Bi‐1,2,4‐triazole‐di‐μ‐chloro‐cuivre(II) monohydraté

In the title compound, μ‐3,4′‐bi‐1,2,4‐triazole‐di‐μ‐chloro‐copper(II) monohydrate, {[CuCl₂(C₄H₄N₆)]·H₂O}_n, the Cu atom is located in a distorted octahedron consisting of two N atoms and four Cl atoms. The structural unit is an infinite chain in which octahedral groups, connected by shared edges, are also linked by bitriazole mol­ecules. The bitriazole ligand, the Cu atom and the water O atom all lie on independent twofold axes. The structure is held together by hydrogen bonds between the water mol­ecules and the non‐coordinated N atoms of the ligand, and by van der Waals forces.     

Diaqua­bis[5‐(pyrazin‐2‐yl‐κN1)‐1H‐tetra­zolato‐κN1]manganese(II) and diaqua­bis[5‐(pyrazin‐2‐yl‐κN1)‐1H‐tetra­zolato‐κN1]zinc(II)

The two new title complexes, [Mn(C₅H₃N₆)₂(H₂O)₂] and [Zn(C₅H₃N₆)₂(H₂O)₂], are isomorphous. In both compounds, the metal atom is located on an inversion center and is coordinated by four N atoms from two 5‐(pyrazin‐2‐yl)‐1H‐tetra­zolate anions in the basal plane and by two O atoms of water ligands in the apical positions to form a distorted octa­hedral geometry. Inter­molecular hydrogen‐bond inter­actions between the uncoordinated N atoms of the tetra­zolate anions and the H atoms of the water mol­ecules lead to the formation of a three‐dimensional network.     

Aquabromo(6‐carboxypyridine‐2‐carboxylato‐O,N,O′)mercury(II)

The title compound, [HgBr(C₇H₄NO₄)(H₂O)], was obtained by the reaction of an aqueous solution of mercury(II) bromide and pyridine‐2,6‐di­carboxylic acid (picolinic acid, dipicH₂). The shortest bond distances to Hg are Hg—Br 2.412 (1) Å and Hg—N 2.208 (5) Å; the corresponding N—Hg—Br angle of 169.6 (1)° corresponds to a slightly distorted linear coordination. There are also four longer Hg—O interactions, three from dipicH^? [2.425 (4) and 2.599 (4) Å within the asymmetric unit, and 2.837 (4) Å from a symmetry‐related mol­ecule] and one from the bonded water mol­ecule [2.634 (4) Å]. The effective coordination of Hg can thus be described as 2+4. The mol­ecules are connected to form double‐layer chains parallel to the y axis by strong O—H?O hydrogen bonds between carboxylic acid groups of neighbouring mol­ecules, and by weaker hydrogen bonds involving both H atoms of the water mol­ecule and the O atoms of the carboxylic acid groups.     

Tetrakis[(4‐aminopyridinio)acetato‐κO]diaquamanganese(II) diper­chlorate

In the centrosymmetric title complex, [Mn(C₇H₈N₂O₂)₄(H₂O)₂](ClO₄)₂, the Mn^II ion is in an octahedral environment, with the equatorial plane being defined by the O atoms of four monodentate carboxyl­ate groups, and the octahedron being completed by two trans‐coordinated water mol­ecules. There are intramolecular hydrogen bonds between the coordinated water mol­ecules and the non‐coordinated O atoms of the carboxyl­ate groups. Hydrogen bonds between the amino groups and the carboxyl­ate groups of neighbouring mol­ecules generate a layered hydrogen‐bonded network.