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The title compound, C28H20N2O2·2H2O, comprises a Schiff base molecule with an imposed inversion centre in the middle of p-phenylenediamine unit and water molecules of crystallization. In the structure, the Schiff base molecule is present as the keto–amino tautomer with a strong intramolecular N—H⋯O hydrogen bond. The Schiff base molecules and water molecules of crystallization create infinite [010] columns through O—H⋯O hydrogen bonds. Intermolecular attractions within columns are through additional π–π interactions [centroid–centroid distance = 3.352 (1) Å] between parallel Schiff base molecules. The columns are joined into infinite (011) layers through weak C—H⋯O hydrogen bonds. The layers pack in an assembly by van der Waals attractions, only being effective between bordering non-polar naphthalene ring systems.
doi:10.1107/S1600536811041870
PMCID: PMC3247366
PMID: 22219984
The asymmetric unit of the title complex, [Cu(C2H8N2)2(H2O)2](C8H8NO2)2·2H2O, contains one anion, one half-cation and one water molecule. The CuII atom in the [Cu(en)2(H2O)2]2+ cation (en is ethylenediamine) lies on an inversion centre. The four N atoms of the en ligands in the equatorial plane around the CuII atom form a slightly distorted square-planar arrangement, while the slightly distorted Jahn–Teller octahedral coordination is completed by two water O atoms in axial positions. In the crystal structure, intra- and intermolecular N—H⋯O and O—H⋯O hydrogen bonds form a three-dimensional network.
doi:10.1107/S1600536808005400
PMCID: PMC2960896
PMID: 21201981
The asymmetric unit of the title compound, C18H20N2O2·2H2O, contains half a molecule with a center of symmetry at the mid-point of the central C—C bond. The N—H bonds in the amide fragments are anti to the meta-methyl groups in the adjacent benzene rings. The dihedral angle between the benzene ring and the NH—C(O)—CH2 segment in the two halves of the molecule is 5.6 (4)°. In the crystal, the packing of molecules through O—H⋯O and N—H⋯O hydrogen-bonding interactions leads to the formation of layers parallel to the bc plane. The methyl group is disordered with respect to the 3- and 5-positions of the benzene ring, with site-occupation factors of 0.910 (8) and 0.090 (8).
doi:10.1107/S1600536811020940
PMCID: PMC3152126
PMID: 21836999
The asymmetric unit of the title compound, C16H16N2O2·2H2O, contains one half-molecule of diphenol and one water molecule. The complete diphenol molecule is generated by a crystallographic inversion centre. In the molecule, the central Cmethyl—C=N—N=C—Cmethyl plane makes a dihedral angle of 8.88 (6)° with its adjacent benzene ring. In the crystal, the components are linked by O—H⋯N and O—H⋯O hydrogen bonds into a three-dimensional network. The crystal structure is further stabilized by a weak C—H⋯π interaction.
doi:10.1107/S1600536811029679
PMCID: PMC3200688
PMID: 22064463
The monomeric title nickel(II) complex of a salicylaldimine, [Ni(C20H14N2O4)]·2CH3OH, was obtained by the reaction of 2,4-dihydroxybenzaldehyde and 1,2-phenylenediamine with nickel(II) acetate. The NiII atom is coordinated by two N atoms [Ni—N = 1.839 (2) Å] and two O atoms [Ni—O = 1.8253 (19) Å] in an approximately square-planar geometry. In the crystal structure, intermolecular O—H⋯O hydrogen bonds link the molecules into a chain along [001].
doi:10.1107/S160053680904063X
PMCID: PMC2971377
PMID: 21578111
In the title complex, [Cu(C9H6N3O3S)2(H2O)4]·2H2O, the CuII atom lies on an inversion centre and is coordinated by four water molecules in equatorial positions and two N atoms from two 4-(4-pyridyl)pyrimidine-2-sulfonate ligands in apical positions. The asymmetric unit contains half of the complex and one free water molecule. The water molecules, including the uncoordinated water molecules, and sulfonate O atoms are involved in O—H⋯O and O—H⋯N hydrogen-bonding interactions.
doi:10.1107/S1600536809011738
PMCID: PMC2977545
PMID: 21583731
The molecule of the title compound, C19H22N2O6, assumes a W-shaped configuration with the dihedral angle between the two halves of the molecule being 82.48 (5)°. There is one half-molecule in the asymmetric unit with a crystallographic twofold rotation axis passing through the central C atom of the five methylene groups in the [—CH=N—O—(CH2)5—O—N=CH—] bridge. The dihedral angle formed by the two benzene rings in each molecule of the title compound is 84.18 (4)°. There are strong intramolecular O—H⋯N and O—H⋯O hydrogen bonds and weak intermolecular π–π stacking interactions between neighbouring benzene rings, and the intermolecular plane-to-plane distances are 3.488 (2) and 3.841 (3) Å along the b and c axes, respectively. In the crystal structure, intermolecular O—H⋯O hydrogen bonds link each molecule to two others, forming an infinite three-dimensional supramolecular structure.
doi:10.1107/S1600536808023064
PMCID: PMC2962213
PMID: 21203294
In the title compound, [Ca(C15H9O7S)(H2O)6](C15H9O7S)·3H2O, the Ca centre has a distorted decahedral geometry, coordinated by six O atoms from water molecules and one sulfonate O atom. The crystal structure is stabilized by aromatic π–π interactions, with centroid–centroid distances of 3.765 (5) and 3.896 (5) Å between the phenyl ring and the benzene ring of the chromene unit of neighbouring molecules. In addition, the stacked molecules exhibit inter- and intramolecular O—H⋯O hydrogen bonds, including the uncoordinated water molecules.
doi:10.1107/S1600536808037586
PMCID: PMC2959999
PMID: 21581174
The asymmetric unit of the title compound, C28H32N4
2+·2Cl−·2H2O, contains half of a 3,3′-[1,4-phenylenebis(methylene)]bis(1-propylbenzimidazolium) cation, one chloride anion and one water molecule. The complete cation is generated by a crystallographic inversion center. The central benzene ring forms a dihedral angle of 66.06 (11)° with its adjacent benzimidazolium ring system. In the crystal, the cations, anions and water molecules are linked by O—H⋯Cl, C—H⋯O and C—H⋯Cl hydrogen bonds into a three-dimensional network. The crystal packing is further stabilized by π–π interactions, with centroid–centroid distances of 3.5561 (15) and 3.6708 (15) Å.
doi:10.1107/S1600536812007738
PMCID: PMC3297903
PMID: 22412706
In the title compound, [Mn(C11H8N3O2S)2(H2O)4]·2H2O, the MnII ion lies on an inversion centre and is coordinated by four water molecules in equatorial positions and two N atoms from two 2-[4-(3-pyridyl)pyrimidin-2-ylsulfanyl]acetate ligands in the axial positions. The water molecules, including the uncoordinated water molecules, and the acetate O atoms are involved in O—H⋯O and O—H⋯N hydrogen-bonding interactions, which link the components into layers parallel to the a (b + c) plane.
doi:10.1107/S1600536809033078
PMCID: PMC2970048
PMID: 21577466
In the title complex, [Ni(C20H14N2O4)]·2H2O, the NiII ion is in an essentially square-planar geometry involving an N2O2 atom set of the tetradentate Schiff base ligand. The Ni atom lies on a crystallographic twofold rotation axis. The asymmetric unit contains one half-molecule of the complex and a water molecule. An intermolecular O—H⋯O hydrogen bond forms a four-membered ring, producing an R
1
2(4) ring motif involving a bifurcated hydrogen bond to the phenolate O atoms of the complex molecule. In the crystal structure, molecules are linked by π–π stacking interactions, with centroid–centroid distances in the range 3.5750 (11)–3.7750 (11) Å. As a result of the twofold symmetry, the central benzene ring makes the same dihedral angle of 15.75 (9)° with the two outer benzene rings. The dihedral angle between the two hydroxyphenyl rings is 13.16 (5)°. In the crystal structure, molecules are linked into infinite one-dimensional chains by directed four-membered O—H⋯O—H interactions along the c axis and are further connected by C—H⋯O and π–π stacking into a three-dimensional network. An interesting feature of the crystal structure is the short Ni⋯O, O⋯O and N⋯N interactions which are shorter than the sum of the van der Waals radii of the relevant atoms. The crystal structure is stabilized by intermolecular O—H⋯O and C—H⋯O hydrogen bonds and by π–π stacking interactions.
doi:10.1107/S1600536808026093
PMCID: PMC2960688
PMID: 21201624
The title compound, C8H6O6·2H2O, was obtained by accident within a project on the synthesis of metal–organic coordination polymers by the reaction of LiOH with 2,5-dihydroxyterephthalic acid under solvothermal conditions. The asymmetric unit consists of half a 2,5-dihydroxyterephthalic acid molecule located on a centre of inversion and one solvent water molecule that occupies a general position. The 2,5-dihydroxyterephthalic acid molecules are connected to the water molecules via O—H⋯O hydrogen bonding to form a layer in the ab plane.
doi:10.1107/S1600536810025766
PMCID: PMC3007543
PMID: 21588257
The title compound, C18H12N2O2·0.5H2O, was prepared by the reaction of 1,4-phenylenediamine with 1,8-naphthalic anhydride in refluxing dimethylformamide. The structure is stabilized by N—H⋯O and O—H⋯O hydrogen bonds. There are π–π stacking interactions [centroid-centroid distances of 3.718 (2), 3.510 (2) and 3.546 (2) Å] and C—H⋯π interactions between the molecules. The water molecule lies on a twofold rotation axis. Its two H atoms are disordered equally over two positions.
doi:10.1107/S160053680706583X
PMCID: PMC2915319
PMID: 21200828
The title compound, C16H13NO3, crystallizes with two independent molecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the 4-methylphenyl and 3-nitrophenyl groups is 4.0 (3)° in molecule A and 16.2 (7)° in molecule B. Intermolecular C—H⋯O hydrogen bonding involving the O atoms of the 3-nitrophenyl group of both independent molecules link the molecules into layers approximately parallel to the (110) plane. The layers are held together by π–π stacking interactions between the 4-methylphenyl ring of molecule A and the 3-nitrophenyl ring of molecule B of the adjacent layer, with the distance between the centroids of interacting rings being 3.6987 (7) Å.
doi:10.1107/S160053680706182X
PMCID: PMC2914892
PMID: 21200665
The asymmetric unit of the title compound, (C13H10N)2[PtCl6]·2H2O, contains a protonated acridine cation, one half of a [PtCl6]2− dianionic complex and a solvent water molecule. The octahedral [PtCl6]2− dianion is located on an inversion centre. π–π interactions between neighboring acridinium cations produce stacks along the a axis; the shortest distance between the centroids of the six-membered rings within the cations is 3.553 (9) Å. In the crystal, two independent intermolecular O—H⋯Cl hydrogen bonds, both involving the same Cl atom of the anion as acceptor, give rise to chains also running along the a axis; in addition each water molecule, as a hydrogen-bond acceptor, is linked to the acridinium N—H group.
doi:10.1107/S1600536810009566
PMCID: PMC2983811
PMID: 21580522
The organic molecule of the title compound, C16H12N6O2·2H2O, lies across a crystallographic inversion centre. The dihedral angle between the pyrimidine and benzene rings is 80.78 (6)°. The two pyrimidine rings are parallel by virtue of the centre of symmetry. The pyrimidine and benzene rings form dihedral angles of 41.41 (7) and 40.26 (7)°, respectively, with the amide plane. The molecules are linked by N—H⋯N and C—H⋯N hydrogen bonds into a two-dimensional network parallel to the (11) plane. O—H⋯O and C—H⋯O hydrogen bonds involving the water molecules link the adjacent layers into a three-dimensional network. In addition, a C—H⋯π interaction involving the benzene ring is observed.
doi:10.1107/S1600536807065683
PMCID: PMC2915323
PMID: 21200832
The title compound, {[La4(CH3CO2)10(C2O4)(H2O)2]·2H2O}n, exhibits a two-dimensional layered structure with the oxalate and acetate ligands acting as bridges. The asymmetric unit contains two crystallographically independent lanthanum(III) ions, half of an oxalate ligand, five acetate ligands, one coordinated water molecule and one uncoordinated water molecule. The coordination numbers of the two La ions are 9 and 10. Adjacent layers of the structure, which extend parallel to (100), are linked by O–H⋯O hydrogen bonds and are also held together by van der Waals interactions between the CH3 groups of the acetate anions.
doi:10.1107/S1600536811038037
PMCID: PMC3201431
PMID: 22064832
The title compound, C12H10N4·4H2O, was obtained from a room-temperature solution of o-phenylenediamine and copper acetate. In the crystal structure, there are significant π–π stacking interactions, with a centroid–centroid separation of 3.575 (2) Å. In addition, intermolecular O—H⋯O, N—H⋯O, N—H⋯N and O—H⋯N hydrogen bonds link 2,3-diaminophenazine molecules and water molecules, forming a three-dimensional framework.
doi:10.1107/S1600536808009598
PMCID: PMC2961609
PMID: 21202528
The structure of the title compound, [CoII(C2H8N2)3]SO4, the cobalt example of [M(C2H8N2)3]SO4, is reported. The Co and S atoms are located at the 2d and 2c Wyckoff sites (point symmetry 32), respectively. The Co atom is coordinated by six N atoms of three chelating ethylenediamine molecules generated from half of the ethylenediamine molecule in the asymmetric unit. The O atoms of the sulfate anion are disordered mostly over two crystallographic sites. The third disorder site of O (site symmetry 3) has a site occupancy approaching zero. The H atoms of the ethylenediamine molecules interact with the sulfate anions via intermolecular N—H⋯O hydrogen-bonding interactions.
doi:10.1107/S1600536810016168
PMCID: PMC2979650
PMID: 21579283
The asymmetric unit of the title compound, (C12H9N2)2[PtBr6]·2H2O, contains a protonated 1,10-phenanthroline cation (H-phen), one half of a [PtBr6]2− anionic complex and a solvent water molecule. The PtIV ion is located on an inversion centre and is coordinated in an octahedral environment by six Br atoms. The crystal structure displays numerous intermolecular π–π interactions between six-membered rings of H-phen, with a shortest centroid–centroid distance of 3.670 (5) Å, and intermolecular N—H⋯O, O—H⋯Br and O—H⋯N hydrogen bonds.
doi:10.1107/S1600536809055196
PMCID: PMC2979881
PMID: 21579595
The asymmetric unit of the title compound, C14H14N4·2H2O consists of two half-molecules of the main molecule, each situated on an inversion center, and two molecules of water. One-dimensional chains of water molecules are built up by O—H⋯O hydrogen bonds which are then linked with the main molecule via O—H⋯N hydrogen bonds, forming a two-dimensional supramolecular network in the ac plane.
doi:10.1107/S1600536809007521
PMCID: PMC2968890
PMID: 21582432
The asymmetric unit of the title mononuclear NiII compound, [Ni(NCS)2(C8H12N2)2], contains two independent half-molecules, the Ni atoms of which lie on crystallographic inversion centres. Each NiII ion is chelated by two N atoms from two N-phenylethane-1,2-diamine ligands and is also coordinated by two N atoms from two thiocyanate ligands, giving a distorted octahedral geometry. In the crystal, molecules are linked into a two-dimensional network parallel to (100) by N—H⋯S interactions.
doi:10.1107/S1600536809055792
PMCID: PMC2979796
PMID: 21579606
The organic molecule of the title compound, C18H14N4O2·H2O, lies on a center of inversion located at the centre of the central phenylene ring. There are two half-molecules in the asymmetric unit. In the crystal, the molecules are linked through by N—H⋯O and O—H⋯N hydrogen bonds involving the water molecule, forming a layer structure. The layers interact by π–π interactions between the aromatic rings.
doi:10.1107/S1600536809024684
PMCID: PMC2977464
PMID: 21583460
The title compound, C8H8N2S, was prepared by the condensation of N-methyl-1,2-phenylenediamine and carbon disulfide. The crystal structure is stabilized by a C—H⋯π interaction between a benzene H atom and the benzene ring of a neighbouring molecule, and by intermolecular N—H⋯S interactions.
doi:10.1107/S1600536808015043
PMCID: PMC2961472
PMID: 21202650
A crystallographic twofold axis passing through the centre of the disulfide linkage in the title compound, C16H12N6S2·2H2O, results in one-half of the molecule and one uncoordinated water molecule described in the asymmetric unit. In the molecule, the mean planes of the benzene and triazole rings are close to being coplanar and are separated by a dihedral angle of 2.08 (15)°. The triazole rings are twisted by a dihedral angle of 37.67 (6)° from the disulfide linkage. The crystal packing is stabilized by intermolecular N—H⋯O and O—H⋯N hydrogen bonds with the water molecules, forming a three-dimensional supramolecular network.
doi:10.1107/S1600536811014607
PMCID: PMC3089328
PMID: 21754507