PMCC PMCC

Search tips
Search criteria

Advanced
Results 1-25 (283027)

Clipboard (0)
None

Related Articles

1.  Bis{2-[3-(hy­droxy­imino-κN)butan-2-yl­idene]-N-methyl­hydrazinecarbothio­amide-κ2 N 2,S}nickel(II) dichloride 
The asymmetric unit of the title compound, [Ni(C6H12N4OS)2]Cl2, contains two independent NiII complex cations and four chloride anions. Each NiII ion is six-coordinated in a distorted octa­hedral geometry by four N atoms from the two imine and two oxime groups and two S atoms from the thione group. In the crystal, the cations and anions are linked through N—H⋯Cl and O—H⋯Cl hydrogen bonds into infinite chains propagating along [10]. Weak inter­molecular C—H⋯O and C—H⋯Cl hydrogen bonds are also observed.
doi:10.1107/S1600536811055395
PMCID: PMC3274853  PMID: 22346800
2.  (E)-N-Ethyl-2-[(E)-3-(hy­droxy­imino)­butan-2-yl­idene]hydrazinecarbothio­amide 
In the crystal structure of the title compound, C7H14N4OS, mol­ecules are linked through N—H⋯S and O—H⋯N hydrogen bonds and C—H⋯S interactions, forming chains propagating along [21-1].
doi:10.1107/S1600536812028632
PMCID: PMC3414996  PMID: 22904983
3.  (E)-2-[(E)-3-(Hy­droxy­imino)­butan-2-yl­idene]-N-methyl­hydrazinecarbothio­amide 
In the title compound, C6H12N4OS, an intra­molecular N—H⋯N hydrogen-bond is present giving rise to an S(5) ring motif. In the crystal, double-stranded chains propagating along [10] are formed via pairs of O—H⋯S and N—H⋯S hydrogen bonds. The chains are further stabilized by C—H⋯S interactions.
doi:10.1107/S1600536811053621
PMCID: PMC3254522  PMID: 22259468
4.  N′-[3-(Hy­droxy­imino)­butan-2-yl­idene]-4-methyl­benzene-1-sulfono­hydrazide 
In the title compound, C11H15N3O3S, the C—S—N(H)—N linkage is nonplanar, the torsion angle being 75.70 (12)°. The compound has two almost planar fragments linked to the S atom: the hydrazone-derivative fragment [(HONC4H6)N—N(H)–] and the tolyl fragment (C7H7–) have maximum deviations from the mean plane through the non-H atoms of 0.0260 (10) and 0.0148 (14) Å, respectively. The two planar fragments make an inter­planar angle of 79.47 (5)°. In the crystal, mol­ecules are connected through inversion centers via pairs of N—H⋯O and O—H⋯N hydrogen bonds.
doi:10.1107/S1600536812003339
PMCID: PMC3297317  PMID: 22412507
5.  Diaquabis­[3-(hydroxy­imino­)butanoato]nickel(II): a triclinic polymorph 
The title centrosymmetric mononuclear complex, [Ni(C4H6NO3)2(H2O)2], is a polymorph of the previously reported complex [Dudarenko et al. (2010 ▶). Acta Cryst. E66, m277–m278]. The NiII atom, lying on an inversion center, is six-coordinated by two carboxyl­ate O atoms and two oxime N atoms from two trans-disposed chelating 3-hydroxy­imino­butanoate ligands and two axial water mol­ecules in a distorted octa­hedral geometry. The hydr­oxy group forms an intra­molecular hydrogen bond with the coordinated carboxyl­ate O atom. The complex mol­ecules are linked in stacks along [010] by a hydrogen bond between the water O atom and the carboxyl­ate O atom of a neighboring mol­ecule. The stacks are further linked by O—H⋯O hydrogen bonds into a layer parallel to (001).
doi:10.1107/S1600536810006306
PMCID: PMC2983669  PMID: 21580256
6.  2-(1,2,3,4-Tetra­hydro­naphthalen-1-yl­idene)hydrazinecarbothio­amide 
The mol­ecular structure of the title compound, C11H13N3S, is not planar: the maximum deviation from the mean plane of the non-H atoms is 0.521 (2) Å for an aliphatic C atom, which corresponds to an envelope conformation for the non-aromatic ring. The hydrazinecarbothio­amide substituent and the benzene ring have maximum deviations from the mean planes through the non-H atoms of 0.0288 (16) and 0.0124 (27) Å, respectively, and the dihedral angle between the two planes is 8.84 (13)°. In the crystal, mol­ecules are linked into chains along [10] by pairs of N—H⋯S hydrogen bonds between mol­ecules related by centres of symmetry.
doi:10.1107/S1600536812033302
PMCID: PMC3415020  PMID: 22905007
7.  Diaquabis­[3-(hydroxy­imino)­butanoato]nickel(II) 
In the neutral, mononuclear title complex, [Ni(C4H6NO3)2(H2O)2], the Ni atom lies on a crystallographic inversion centre within a distorted octa­hedral N2O4 environment. Two trans-disposed anions of 3-hydroxy­imino­butanoic acid occupy four equatorial sites, coordinated by the deprotonated carboxyl­ate and protonated oxime groups and forming six-membered chelate rings, while the two axial positions are occupied by the water O atoms. The O atom of the oxime group forms an intra­molecular hydrogen bond with the coordinated carboxyl­ate O atom. The complex mol­ecules are linked into chains along b by hydrogen bonds between the water O atom and the carboxyl­ate O of a neighbouring mol­ecule. The chains are linked by further hydrogen bonds into a layer structure.
doi:10.1107/S1600536810004605
PMCID: PMC2983569  PMID: 21580224
8.  Diammine{N-[2-(hy­droxy­imino)­propion­yl]-N′-[2-(oxidoimino)­propion­yl]propane-1,3-diaminido-κ4 N,N′,N′′,N′′′}iron(III) 
In the title compound, [Fe(C9H13N4O4)(NH3)2], the FeIII atom, lying on a mirror plane, is coordinated by four N atoms of a triply deprotonated tetra­dentate N-[2-(hy­droxy­imino)­propion­yl]-N′-[2-(oxidoimino)­propion­yl]propane-1,3-diaminide ligand in the equatorial plane and two N atoms of two ammonia mol­ecules at the axial positions in a distorted octa­hedral geometry. A short intra­molecular O—H⋯O hydrogen bond between the cis-disposed oxime O atoms stabilizes the pseudo-macrocyclic configuration of the ligand. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds into a three-dimensional network. The ligand has a mirror-plane symmetry. One of the methyl­ene groups of the propane bridge is disordered over two sets of sites with equal occupancy factors.
doi:10.1107/S160053681204826X
PMCID: PMC3588803  PMID: 23468768
9.  Bis[2-(2-oxoindolin-3-yl­idene)-N-phenylhydrazinecarbothio­amidato-κ3 O,N 2,S]nickel(II) dimethyl­formamide monosolvate 
The asymmetric unit of the title compound, [Ni(C15H11N4OS)2]·C3H7NO, contains one NiII complex mol­ecule and one disordered dimethyl­formamide solvent mol­ecule. The NiII ion is six-coordinated in a distorted octa­hedral geometry by two N, two O and two S atoms. An intra­molecular C—H⋯S hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are linked through inter­molecular N—H⋯S, N—H⋯O, C—H⋯N, C—H⋯O and C—H⋯S hydrogen bonds into infinite two-dimensional network parallel to the ab plane. The structure is further stablized by weak C—H⋯π inter­actions. The dimethylformamide solvent molecule is disordered over two sets of sites in a 0.514 (15):0.486 (15) ratio.
doi:10.1107/S1600536812012834
PMCID: PMC3344298  PMID: 22590064
10.  Bis{benzyl 2-[4-(4-meth­oxy­phen­yl)butan-2-yl­idene]hydrazinecarbodithio­ato-κ2 N 2,S}nickel(II) 
The complete mol­ecule of the title complex, [Ni(C19H21N2OS2)2], is generated by the application of twofold symmetry. The NiII atom is N,S-chelated by two hydrazinecarbodithio­ate ligands, which provide an N2S2 donor set that defines a distorted square-planar geometry, the S atoms being approximately cis. The conformation of the chelate ring is an envelope with the NiII atom being the flap atom. The dihedral angle between the least-squares planes through the chelate rings = 30.10 (6)°. Supra­molecular chains propagated by glide symmetry along the c axis and mediated by C—H⋯N contacts feature in the crystal packing.
doi:10.1107/S1600536812019289
PMCID: PMC3379070  PMID: 22719291
11.  Bis{4-bromo-2-[(2-hy­droxy­eth­yl)imino­meth­yl]phenolato}nickel(II) monohydrate 
The title mononuclear nickel complex, [Ni(C9H9BrNO2)2]·H2O, was obtained by the reaction of 5-bromo­salicyl­aldehyde, 2-amino­ethanol and nickel nitrate in methanol. The NiII atom is six-coordinated by two phenolate O, two imine N and two hy­droxy O atoms from two crystallographically different Schiff base ligands, forming an octa­hedral geometry. In the crystal, mol­ecules are linked by inter­molecular O—H⋯O and O—H⋯Br hydrogen bonds, forming a three-dimensional network.
doi:10.1107/S1600536811031771
PMCID: PMC3200792  PMID: 22058854
12.  (Z)-N-Ethyl-2-(5-fluoro-2-oxoindolin-3-yl­idene)hydrazinecarbothio­amide 
In the title compound, C11H11FN4OS, an intra­molecular N—H⋯O hydrogen bond generates an S(6) ring. In the crystal, mol­ecules form chains through N—H⋯O hydrogen bonds, which are extended by N—H⋯S hydrogen bonds into an infinite three-dimensional network.
doi:10.1107/S1600536812036471
PMCID: PMC3470224  PMID: 23125668
13.  (2E)-N-Methyl-2-[(2E)-3-phenyl­prop-2-en-1-yl­idene]hydrazinecarbothio­amide 
The title compound, C11H13N3S, is close to being planar, with a dihedral angle of 9.64 (3)° between the benzene ring and the thio­semicarbazone mean plane, maintained by the presence of π-conjugation in the chain linking the the two systems. In the crystal, N—H⋯S hydrogen bonds form centrosymmetric dimers through a cyclic association [graph-set R 2 2(8)].
doi:10.1107/S1600536812037397
PMCID: PMC3470202  PMID: 23125646
14.  Bis(dimethyl­formamide-κO){4,4′,6,6′-tetra­chloro-2,2-[butane-1,4-di­yl(nitrilo­methanylyl­idene)]diphenolato-κ4 O,N,N′,O′}nickel(II) 
In the title Schiff base complex, [Ni(C18H14Cl4N2O2)(C3H7NO)2], the geometry around the NiII atom is distorted octa­hedral. It is coordinated by the N2O2 donor atoms of the tetra­dentate Schiff base ligand and the O atoms of two dimethyl­formamide mol­ecules, which are cis to one another. The benzene rings are almost normal to each other [dihedral angle = 88.60 (14)°]. The various intra­molecular C—H⋯O hydrogen bonds make S(5) and S(6) ring motifs. In the crystal, mol­ecules are linked by pairs of weak C—H⋯Cl inter­actions, forming inversion dimers.
doi:10.1107/S1600536812028681
PMCID: PMC3393240  PMID: 22807808
15.  N-Ethyl-2-[1-(2-hy­droxy-6-meth­oxy­phenyl)ethyl­idene]hydrazinecarbothio­amide 
In the title compound, C12H17N3O2S, the dihedral angle between the mean planes of the hydrazinecarbothio­amide group and the benzene ring is 86.8 (4)°. In the crystal, inter­molecular O—H⋯S hydrogen bonds link the mol­ecules into chains along [001]. The crystal studied was an inversion twin, the refined ratio of the twin components being 0.98021 (3):0.01978 (7).
doi:10.1107/S1600536812039323
PMCID: PMC3470346  PMID: 23125759
16.  Bis(2-carb­oxy-N-{[1-(2-hy­droxy­eth­yl)-3,3-dimethyl­indolin-2-yl­idene]methyl­imino}­anilinium) sulfate monohydrate 
The asymmetric unit of the title compound, 2C20H22N3O3 +·SO4 2−·H2O, contains four cations, two sulfate anions and two lattice water mol­ecules. One of the four cations shows a different conformation of the hy­droxy­ethyl group; the remaining three are all essentially superimposable. Two cations exhibit two-site orientational disorder [ratios = 0.524 (5):0.476 (5) and 0.616 (6):0.384 (6)] of the last two atoms of their hy­droxy­ethyl groups, and one water mol­ecule is disordered over two positions in a 0.634 (13):0.366 (13) ratio. Each imine H atom is intra­molecularly in contact with the adjacent carboxyl O atom, forming an S(6) motif, while all the carb­oxy­lic acid H atoms are hydrogen bonded to O atoms of the sulfate anions. Other notable hydrogen-bond inter­actions involve (methyl­ene, phenyl and imine chain) C—H⋯O (sulfate and carbox­yl) and O—H⋯O(water) contacts, making up a comprehensive three-dimensional network involving D 2 2(n), with n = 4–6 and 15–16, and C 2 2(17) classical hydrogen-bond motifs. The crystal investigated was twinned by pseudomerohedry with a twin component ratio of 0.4745 (12):0.5255 (12).
doi:10.1107/S1600536813003188
PMCID: PMC3588437  PMID: 23476537
17.  2-Hydroxy­imino-N′-[1-(2-pyrid­yl)ethyl­idene]propanohydrazide 
The title compound, C10H12N4O2, features an intra­molecular N—H⋯N hydrogen bond formed between the imine NH and oxime N atoms. The oxime group and the amide C=O bond are anti to each other. In the crystal, mol­ecules are connected by O—H⋯O hydrogen bonds into supra­molecular zigzag chains along the c axis.
doi:10.1107/S1600536809033352
PMCID: PMC2969988  PMID: 21577640
18.  [N′-(1,3-Dioxoindan-2-yl­idene)-2-oxido­benzohydrazidato-κ3 O 2,N,O]tripyridine­nickel(II) pyridine solvate 
In the title compound, [Ni(C16H8N2O4)(C5H5N)3]·C5H5N, the NiII atom is six-coordinated by two O atoms and one N atom from the Schiff base ligand and by three N atoms from three pyridine mol­ecules, forming a distorted octa­hedral geometry. The Ni—O(phenolate) bond [1.9750 (16) Å] is shorter than the Ni—O(carbon­yl) bond [2.0840 (16) Å] and the Ni—N bonds (mean 2.120 Å).
doi:10.1107/S1600536808023489
PMCID: PMC2961996  PMID: 21203066
19.  1-(2-Hy­droxy­eth­yl)-4-[3-(2-trifluoro­methyl-9H-thioxanthen-9-yl­idene)prop­yl]piperazine-1,4-diium dichloride: the dihydro­chloride salt of flupentixol 
In the title compound, C23H27F3N2OS+·2Cl−, the piperazinediium ring adopts a chair conformation. The dihedral angle between the two outer aromatic rings of the 9H-thioxanthene unit is 40.35 (18)°. The F atoms in the trifluoro­methyl group are disordered over two sets of sites with occupancies of 0.803 (6) and 0.197 (6). In the crystal, mol­ecules are connected by N—H⋯Cl, O—H⋯Cl C—H⋯O and C—H⋯Cl hydrogen bonds, forming chains propagating along [001]. There are also C—H⋯π inter­actions present in the crystal structure.
doi:10.1107/S1600536811028182
PMCID: PMC3213522  PMID: 22091101
20.  N′-(2-Hy­droxy­benzyl­idene)-2-(hy­droxy­imino)­propano­hydrazide 
The mol­ecule of the title compound, C10H11N3O3, adopts an all-trans conformation and is approxomately planar, the largest deviation from the least-squares plane through all non-H atoms being 0.261 (1) Å. An intra­molecular O—H⋯N hydrogen bond occurs. In the crystal, the mol­ecules are packed into layers lying parallel to the ab plane by π-stacking inter­actions between the benzene ring of one molecule and the C—N bond of the oxime group of another molecule; the shortest inter­molecular C⋯C separation within the layer is 3.412 (1) Å. The layers are connected by O—H⋯O and N—H⋯O hydrogen bonds.
doi:10.1107/S1600536811045818
PMCID: PMC3238939  PMID: 22199788
21.  Bis(1,10-phenanthroline-κ2 N,N′)(sulfato-κ2 O,O′)nickel(II) butane-2,3-diol monosolvate 
In the title compound, [Ni(SO4)(C12H8N2)2]·C4H10O2, the NiII ion is six-coordinated by four N atoms from two chelating 1,10-phenanthroline ligands and two O atoms from an O,O′-bidentate sulfate anion, resulting in a distorted octa­hedral geometry for the metal ion. The dihedral angle between the two chelating N2C2 groups is 83.82 (12)°. The NiII ion, the S atom and the mid-point of the central C—C bond of the butane-2,3-diol solvent mol­ecule lie on a twofold rotation axis. In the crystal, the complex mol­ecules and solvent mol­ecules are held together by pairs of symmetry-related Odiol—H⋯Osulfate hydrogen bonds involving the uncoordinating O atoms of the sulfate ions. The solvent mol­ecule is disordered over two sets of sites with site occupancies of 0.450 (9) and 0.550 (9).
doi:10.1107/S1600536812047241
PMCID: PMC3588765  PMID: 23468730
22.  Bis{4-chloro-2-[(2-hy­droxy­eth­yl)imino­meth­yl]phenolato}nickel(II) monohydrate 
The title mononuclear nickel(II) complex, [Ni(C9H9ClNO2)2]·H2O, was obtained by the reaction of 5-chloro­salicyl­aldehyde, 2-amino­ethanol and nickel nitrate in methanol. The Ni atom is six-coordinated by two phenolate O, two imine N and two hy­droxy O atoms from two crystallographically different Schiff base ligands, forming an octa­hedral geometry. In the crystal, mol­ecules are linked through inter­molecular O—H⋯O and O—H⋯Cl hydrogen bonds.
doi:10.1107/S1600536811031680
PMCID: PMC3200802  PMID: 22058855
23.  (Z)-N,N-Dimethyl-2-[phen­yl(pyridin-2-yl)methyl­idene]hydrazinecarbothio­amide 
The title compound, C15H16N4S, exists in the Z conformation with the thionyl S atom lying cis to the azomethine N atom. The shortening of the N—N distance [1.3697 (17) Å] is due to extensive delocalization with the pyridine ring. The hydrazine–carbothio­amide unit is almost planar, with a maximum deviation of 0.013 (2) Å for the amide N atom. The stability of this conformation is favoured by the formation of an intra­molecular N—H⋯N hydrogen bond. The packing of the mol­ecules involves no classical inter­molecular hydrogen-bonding inter­actions; however, a C—H⋯π inter­action occurs.
doi:10.1107/S1600536811045739
PMCID: PMC3238862  PMID: 22199715
24.  Acetato­(N-[(E)-1-(6-methyl-2-pyrid­yl)methyl­idene]-2-{2-[(E)-1-(6-methyl-2-pyrid­yl)methyl­idene­amino]­pheneth­yl}aniline)nickel(II) perchlorate 
In the title complex, [Ni(CH3COO)(C28H26N4)]ClO4, the NiII atom is coordinated by two imine N atoms and two pyridine N atoms of the N-[(E)-1-(6-methyl-2-pyrid­yl)methyl­idene]-2-(2-[(E)-1-(6-methyl-2-pyrid­yl)methyl­idene­amino]­pheneth­yl)aniline donor ligand and two O atoms of the acetate ion in a distorted octa­hedral coordination. The average Ni—N and Ni—O bond lengths are 2.131 (13) and 2.098 (11) Å, respectively. An intramolecular N—H⋯O inter­action occurs. Relatively weak inter­molecular C—H⋯O inter­actions between the ligands and the ClO4 − ions result in a chain extending along the b axis.
doi:10.1107/S1600536810034446
PMCID: PMC2983324  PMID: 21587350
25.  Dichlorido{2-hydroxy­imino-N′-[1-(2-pyrid­yl)ethyl­idene]propanohydrazide-κ3 N,N′,O}zinc(II) hemihydrate 
The title compound, [ZnCl2(C10H12N4O2)]·0.5H2O, was readily prepared by the reaction between ZnCl2 and 2-hydroxy­imino-N′-[1-(2-pyrid­yl)ethyl­idene]propanohydrazide. The Zn atom has a distorted trigonal–bipyramidal geometry with two Cl atoms and one azomethine N atom in the equatorial plane and one pyridine N atom and one amide O atom in the axial positions. In the crystal structure, complex mol­ecules are connected in pairs by N—H⋯Cl hydrogen bonds, formed between the amide NH of one mol­ecule and the Cl atom of a neighboring one. Mol­ecular pairs are connected by hydrogen bonds involving the uncoordinated water mol­ecule, which lies on a twofold axis.
doi:10.1107/S160053680706535X
PMCID: PMC2960173  PMID: 21201313

Results 1-25 (283027)