Bis(μ‐3‐nitrobenzene‐1,2‐dicarboxyl­ato)‐κ8O1,O2:O2,O3;O3,O2:O2,O1‐bis­[triaqua­(2‐carboxy‐3‐nitro­benzoato‐κ2O,O′)lanthanum(III)] dihydrate

The title compound, [La₂(C₈H₃NO₆)₂(C₈H₄NO₆)₂(H₂O)₆]·2H₂O, consists of dimeric units related by an inversion center. The two La^III atoms are linked by two bridging bidentate carboxyl­ate groups and two monodentate carboxyl­ate groups. Each La^III atom is nine‐coordinated by six O atoms from five different carboxyl­ate groups and three from water mol­ecules. Hydrogen bonds between the water mol­ecules and between the solvent water and a carboxyl­ate O atom are observed in the structure. In the crystal packing, there are slipped π–π stacking inter­actions between the parallel benzene rings. Both hydrogen‐bonding and π–π inter­actions combine to stabilize the three‐dimensional supra­molecular network.     

β‐Lapachone

The most remarkable aspect of the crystal structure of the title compound (systematic name: 3,4‐dihydro‐2,2‐dimethyl‐2H‐naphtho[1,2‐b]pyran‐5,6‐dione), C₁₅H₁₄O₃, is that a π‐stacking inter­action is present between the two naphthalene ring systems of symmetry‐related mol­ecules. Apart from these π–π inter­actions, different mol­ecules are held together by weak C—H⋯O hydrogen‐bonding inter­actions.     

Bis(3‐amino­pyridine‐κN)(4,4′‐di­methyl‐2,2′‐bipyridine‐κ2N,N′)(per­chlorato‐κO)copper(II) per­chlorate

The title compound, [Cu(ClO₄)(C₅H₆N₂)₂(C₁₂H₁₂N₂)]ClO₄, was prepared by in situ partial ligand substitution between 3‐amino­pyridine and 4,4′‐dimethyl‐2,2′‐bipyridine at room temperature. The central copper(II) ion is five‐coordinated by one bidentate 4,4′‐dimethyl‐2,2′‐bipyridine mol­ecule, two monodentate pyridine‐coordinated 3‐amino­pyridine mol­ecules and one apical O atom from the perchlorate counter‐ion. Inter­molecular N—H⋯O and C—H⋯O hydrogen‐bonding inter­actions form a hydrogen‐bond‐sustained network.     

4‐Bromo‐2‐{[4‐(3‐mesityl‐3‐methyl­cyclo­butyl)thia­zol‐2‐yl]hydrazono­meth­yl}phenol,with N—H⋯N,C—H⋯π and π–π inter­actions

The title compound, C₂₄H₂₆BrN₃OS, crystallizes in the triclinic space group P, with two independent mol­ecules in the asymmetric unit. The mol­ecules adopt an E geometry about the azomethine C=N double bond. The structure is stabilized as dimers by N—H⋯N hydrogen bonding. C—H⋯π and π–π inter­actions are also effective in the crystal packing.     

A bicapped trigonal–prismatic lead complex: catena‐poly[[[aqua­bis(1,10‐phenanthroline‐κ2N,N′)lead(II)]‐μ‐squarato‐κO1:κ2O2,O3] dihydrate]

The asymmetric unit of the title compound, {[Pb(C₄O₄)(C₁₂H₈N₂)₂(H₂O)]·2H₂O}_n, contains one squarate dianion, two phenanthroline (phen) ligands and one aqua ligand all coordinated to Pb, and two solvent water mol­ecules. The eight‐coordinate Pb metal ion displays a distorted bicapped trigonal–prismatic coordination environment, defined by three squarate O atoms, four N atoms from two chelating phen ligands and one O atom from the coordinated water mol­ecule. The crystal structure contains chains of squarate‐1,2,3‐bridged Pb^II ions running in the [010] direction. These polymeric chains are linked to one another via offset face‐to‐face π–π inter­actions between the phen ligands, which lead to a two‐dimensional network extending along the (001) plane. The crystal structure is also stabilized by O—H⋯O inter­molecular hydrogen‐bond inter­actions, forming a three‐dimensional network.     

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.     

Aqua­(thio­sulfato‐κ2O,S)[2,4,6‐tri‐2‐pyridyl‐1,3,5‐triazine‐κ3N2,N1,N6]zinc(II) hemihydrate

The title compound, [Zn(S₂O₃)(C₁₈H₁₂N₆)(H₂O)]·0.5H₂O, contains two almost identical independent monomeric moieties composed of an octa­hedral Zn centre coordinated by a tridentate 2,4,6‐tri‐­2‐pyridyl‐1,3,5‐triazine (tpt) ligand, one aqua ligand and an O,S‐chelating thio­sulfate anion. The structure is stabilized by a solvent water mol­ecule. Multiple strong hydrogen bonds with additional weaker π–π inter­actions between tpt groups define a multiple column spatial organization.     

Tetra­aqua­(7‐hydroxy‐5‐oxidoflavone‐6‐sulfonato‐κ2O4,O5)nickel(II) dimethyl­formamide solvate monohydrate

In the title compound, [Ni(C₁₅H₈O₇S)(H₂O)₄]·C₃H₇NO·H₂O, the Ni^II cation is chelated by a 7‐hydroxy‐5‐oxidoflavone‐6‐sulfonate ligand through one oxide and one carbonyl O atom, and the sixfold coordination is completed by four aqua ligands. Individual mol­ecules are linked into hydrogen‐bonded dimers by way of five pairs of O—H⋯O hydrogen bonds. These dimers, in turn, determine a three‐dimensional supra­molecular arrangement through a variety of inter­dimeric inter­actions, such as O—H⋯O, C—H⋯O and π–π stacking.     

N,N′‐Bis(2‐pyridylmeth­yl)ferrocene‐1,1′‐diyldicarboxamide and N,N′‐bis­(3‐pyridylmeth­yl)ferrocene‐1,1′‐diyldicarboxamide

The mol­ecules of N,N′‐bis­(2‐pyridylmeth­yl)ferrocene‐1,1′‐diyl­dicarboxamide, [Fe(C₁₂H₁₁N₂O)₂], contain intra­molecular N—H⋯N hydrogen bonds and are linked into sheets by three independent C—H⋯O hydrogen bonds. The mol­ecules of the isomeric compound N,N′‐bis­(3‐pyridylmeth­yl)ferrocene‐1,1′‐diyldicarboxamide lie across inversion centres, and the mol­ecules are linked into sheets by a combination of N—H⋯N hydrogen bonds and π–π stacking inter­actions between pyridyl groups.     

cis‐Diaqua­bis[(E)‐4‐(2‐hydroxy­benzyl­idene­amino)benzoato‐κ2O,O′]cadmium(II): two‐dimensional layers built from strong O—H⋯O hydrogen bonding in the coordination sphere

In the title compound, [Cd(C₁₄H₁₀NO₃)₂(H₂O)₂], which crystallizes with Z = 4 in the space group C2c, the Cd atom is located on a twofold rotation axis and coordinated by six O atoms from two water mol­ecules and two carboxylate groups of two planar 4‐(2‐hydroxy­benzyl­idene­amino)­benzoate lig­ands, with a dihedral angle of 85.6 (1)° between them. Strong O—H⋯O hydrogen bonding in the coordination sphere, together with π–π stacking inter­actions, assemble the mol­ecules into two‐dimensional layers.     

C—H⋯O,C—H⋯π and π–π inter­actions in three benzofuran‐2‐yl ketone derivatives

The mol­ecules of 2‐benzoyl‐1‐benzofuran, C₁₅H₁₀O₂, (I), inter­act through double C—H⋯O hydrogen bonds, forming dimers that are further linked by C—H⋯O, C—H⋯π and π–π inter­actions, resulting in a three‐dimensional supramolecular network. The dihedral angle between the benzo­yl and benzofuran fragments in (I) is 46.15 (3)°. The mol­ecules of bis­(5‐bromo‐1‐benzofuran‐2‐yl) ketone, C₁₇H₈Br₂O₃, (II), exhibit C₂ symmetry, with the carbon­yl group (C=O) lying along the twofold rotation axis, and are linked by a combination of C—H⋯O and C—H⋯π inter­actions and Br⋯Br contacts to form sheets. The stability of the mol­ecular packing in 3‐mesit­yl‐3‐methyl­cyclo­but­yl 3‐methyl­naphtho[1,2‐b]furan‐2‐yl ketone, C₂₈H₂₈O₂, (III), arises from C—H⋯π and π–π stacking inter­actions. The fused naphthofuran moiety in (III) is essentially planar and makes a dihedral angle of 81.61 (3)° with the mean plane of the trimethyl­benzene ring.     

Tris(acetyl­acetonato‐κ2O,O′)(1,10‐phenanthroline‐κ2N,N′)erbium(III)

The title compound, [Er(C₅H₇O₂)₃(C₁₂H₈N₂)], is a mixed‐ligand metal–organic precursor for chemical vapour deposition, with the Er atom being eight‐coordinate. The coordination polyhedron, described as a distorted square anti­prism, is formed by three bidentate (chelating) acetyl­acetonate residues and a phenanthroline ligand in the apical positions. Mol­ecular assembly via C—H⋯O hydrogen bonds generates a sheet structure in the ac plane. Weak co‐operative C—H⋯π inter­actions form mol­ecular dimers and contribute to the stability of the inter­sheet packing. The supra­molecular assembly contains voids which form hydro­phobic porous channels, surrounded by a cluster of dimers.     

catena‐Poly[[[diaqua­bis(pyridine‐4‐carboxamide‐κN)copper(II)]‐μ2‐squarato‐κO1:O3] dihydrate]

The asymmetric unit of the title compound, {[Cu(C₄O₄)(C₆H₆N₂O)₂(H₂O)₂]·2H₂O}_n, consists of one pyridine‐4‐carbox­amide (isonicotinamide or ina) ligand, one‐half of a squarate dianion, a coordinated aqua ligand and a solvent water mol­ecule. Both the Cu^II and the squarate ions are located on inversion centers. The Cu^II ions are octa­hedrally surrounded by four O atoms of two water mol­ecules and two squarate anions, and by two N atoms of the isonicotinamide ligands. The crystal structure contains chains of squarate‐1,3‐bridged Cu^II ions. These chains are held together by N—H⋯O and O—H⋯O inter­molecular hydrogen‐bond inter­actions, forming an extensive three‐dimensional network.     

N‐Cyclo­hexyl‐2‐[5‐(4‐pyridyl)‐4‐(p‐tolyl)‐4H‐1,2,4‐triazol‐3‐yl­sulfanyl]­acetamide dihydrate

In the title compound, C₂₂H₂₅N₅OS·2H₂O, the mol­ecules are stacked in columns running along the b axis. In this arrangemant, the mol­ecules are linked to each other by a combination of one two‐centre N—H⋯O hydrogen bond and four two‐centre O—H⋯O hydrogen bonds containing two types of ring motif, viz.R₄⁴(10) and R₃³(11). In the crystal structure, centrosymmetric π–π inter­actions between the triazole rings, with a distance of 3.691 (2) Å between the ring centroids, also affect the packing of the mol­ecules.     

Bis(acesulfamato‐κO4)diaqua­bis­(3‐methyl­pyridine‐κN)nickel(II)

In the crystal structure of the title compound [systematic name: diaqua­bis(6‐methyl‐2,2‐dioxo‐1,2,3‐oxathia­zin‐4‐olato‐κO⁴)bis­(3‐methyl­pyridine‐κN)nickel(II)], [Ni(C₄H₄NO₄S)₂(C₆H₇N)₂(H₂O)₂], the Ni^II centre resides on a centre of symmetry and has a distorted octa­hedral geometry. The basal plane is formed by two carbonyl O atoms of two monodentate trans‐oriented acesulfamate ligands and two trans aqua ligands. The axial positions in the octa­hedron are occupied by two N atoms of two trans pyridine ligands. Mol­ecules are stacked in columns running along the a axis. There are π–π stacking inter­actions between the mol­ecules in each column, with a distance of 3.623 (2) Å between the centroids of the pyridine rings. There are also O—H⋯O inter­actions between the columns.     

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.     

1‐Benzyl‐3,3‐dichloro‐1H‐indol‐2(3H)‐one

The title compound, C₁₅H₁₁Cl₂NO, was synthesized from N‐­benzyl­isatin. The compound crystallizes as stacks of mol­ecules running down the c axis. Mol­ecules within each of these stacks inter­act with each other through π–π and C—H⋯π inter­actions, and inter­act with neighbouring stacks through C—H⋯O inter­actions.     

Bis(2,9‐dimethyl‐1,10‐phenanthroline‐κ2N,N′)copper(I) hydrogen squarate hemihydrate

In the crystal structure of the synthetically prepared title compound, [Cu(C₁₄H₁₂N₂)₂](C₄HO₄)·0.5H₂O or [Cu(dmphen)₂](HSq)·0.5H₂O (dmphen is 2,9‐dimethyl‐1,10‐phenanthroline or neocuproine and HSq is hydrogen squarate), the Cu^I centre has distorted tetra­hedral coordination geometry comprised of four N atoms from two bidentate dmphen ligands. The squarate monoanions form a ten‐membered dimer, graph set R₂²(10), linked by two strong inter­molecular O—H⋯O hydrogen bonds. These squarate dimers are linked into chains that propagate along the [100] direction. An extensive three‐dimensional network of C—H⋯O hydrogen bonds and π–π inter­actions is responsible for stabilization of the crystal structure.     

(2‐Meth­oxy‐3‐pyrid­yl)boronic acid

The structure of the title compound, 2‐CH₃O‐C₅H₃N–3‐B(OH)₂ or C₆H₈BNO₃, comprises two crystallographically independent mol­ecules. The molecules are linked to each other by inter­molecular O—H⋯N and C—H⋯O bonds to produce an infinite chain, while a two‐dimensional structure is formed as a result of π–π inter­actions of planar mol­ecules.     

Chains of edge‐fused hydrogen‐bonded R33(22) rings in 5,3′‐dihydr­oxy‐3,6,7,4′,5′‐penta­methoxy­flavone

The title compound [systematic name: 5‐hydroxy‐2‐(3‐hydroxy‐4,5‐dimethoxy­phenyl)‐3,6,7‐trimethoxy‐4H‐chromen‐4‐one], C₂₀H₂₀O₉, was isolated from the seeds of Cleom viscosa Linn. Two independent mol­ecules (A and B) are present in the asymmetric unit with almost similar conformations. The dihedral angles between the fused chromene ring system and the benzene ring bonded to it in mol­ecules A and B are 4.2 (1) and 12.7 (1)°, respectively. The hydroxy O atoms are involved in intra­molecular hydrogen bonding. The mol­ecules are linked by C—H⋯O and O—H⋯O inter­actions into chains of edge‐fused R₃³(22) rings. Aromatic π–π and weak C—H⋯π(arene) inter­actions are also observed.