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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.  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
4.  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
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.  A second monoclinic polymorph of 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hy­droxy­imino-N′-[1-(pyridin-2-yl)ethyl­idene]acetohydrazide 
The title compound, C14H16N6O2, is a second monoclinic polymorph of 2-[1-(3,5-dimeth­yl)pyrazol­yl]-2-hy­droxy­imino-N′-[1-(2-pyrid­yl)ethyl­idene] acetohydrazide, with two crystallographically independent mol­ecules per asymmetric unit. The non-planar mol­ecules are chemically equal having similar geometric parameters. The previously reported polymorph [Plutenko et al. (2012 ▶). Acta Cryst. E68, o3281] was described in space group Cc (Z = 4). The oxime group and the O atom of the amide group are anti with respect to the C—C bond. In the crystal, mol­ecules are connected by N—H⋯N hydrogen bonds into zigzag chains extending along the b axis.
doi:10.1107/S1600536813009628
PMCID: PMC3648291  PMID: 23723911
7.  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
8.  (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
9.  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
10.  (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
11.  Bis{(Z)-[(E)-2-(pyridin-2-yl­methyl­idene)hydrazin-1-yl­idene][(pyridin-2-yl)methyl­sulfan­yl]methane­thiol­ato}nickel(II) 
The title compound, [Ni(C13H11N4S2)2], was obtained by the reaction of S-2-picolyldi­thio­carbazate and pyridine-2-carbaldehyde with nickel(II) acetate. The NiII atom is located on a twofold rotation axis and is bonded to four N atoms at distances of 2.037 (8) and 2.109 (9) Å, and to two S atoms at a distance of 2.406 (3) Å, leading to a distorted octa­hedral coordination. The angle between the mean planes of the coordinating moieties of the two symmetry-related tridentate ligands is 83.3 (2)°. In the crystal, complex mol­ecules are linked by weak C—H⋯S hydrogen bonds, π–π inter­actions between the pyridine rings [centroid–centroid distance = 3.775 (9) Å] and C—H⋯π inter­actions. The hydrogen-bonding inter­actions lead to the formation of layers parallel to (010); π–π inter­actions link these layers into a three-dimensional network.
doi:10.1107/S1600536813013032
PMCID: PMC3684885  PMID: 23794987
12.  Bis{2-hydroxy­imino-N′-[1-(2-pyrid­yl)ethyl­idene]propanohydrazidato}zinc(II) dihydrate 
The title compound, [Zn(C10H11N4O2)2]·2H2O, was prepared by the reaction between Zn(CH3COO)2·2H2O and 2-hydroxy­imino-N′-[1-(2-pyrid­yl)ethyl­idene]propano­hydrazide (Hpop). The central ZnII atom has a distorted tetra­gonal-bipyramidal coordination geometry formed by two amide O atoms and four N atoms of two azomethine and two pyridine groups. In the crystal, complex mol­ecules form layers parallel to the crystallographic b direction. The layers are connected by O—H⋯N and O—H⋯O hydrogen bonds involving the solvent water mol­ecules.
doi:10.1107/S1600536810003351
PMCID: PMC2979945  PMID: 21579695
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{(E)-3-[2-(hy­droxy­imino)­propan­amido]-2,2-dimethyl­propan-1-aminium} bis[μ-(E)-N-(3-amino-2,2-dimethyl­prop­yl)-2-(hy­droxy­imino)­propanamido­(2−)]bis­{[(E)-N-(3-amino-2,2-dimethyl­prop­yl)-2-(hy­droxy­imino)­propanamide]­copper(II)} bis­((E)-{3-[2-(hy­droxy­imino)­propanamido]-2,2-dimethyl­prop­yl}carbamate) acetonitrile disolvate 
The reaction between copper(II) nitrate and (E)-N-(3-amino-2,2-dimethyl­prop­yl)-2-(hy­droxy­imino)­propanamide led to the formation of the dinuclear centrosymmetric copper(II) title complex, (C8H18N3O2)2[Cu2(C8H15N3O2)2(C8H17N3O2)2](C9H16N3O4)2·2CH3CN, in which an inversion center is located at the midpoint of the Cu2 unit in the center of the neutral [Cu2(C8H15N3O2)2(C8H17N3O2)2] complex fragment. The Cu2+ ions are connected by two N—O bridging groups [Cu⋯Cu separation = 4.0608 (5) Å] while the CuII ions are five-coordinated in a square-pyramidal N4O coordination environment. The complex mol­ecule co-crystallizes with two mol­ecules of acetonitrile, two mol­ecules of the protonated ligand (E)-3-[2-(hy­droxy­imino)­propanamido]-2,2-dimethyl­propan-1-aminium and two negatively charged (E)-{3-[2-(hy­droxy­imino)­propanamido]-2,2-dimethyl­prop­yl}carbamate anions, which were probably formed as a result of condensation between (E)-N-(3-amino-2,2-dimethyl­prop­yl)-2-(hy­droxy­imino)­propanamide and hydro­gencarbonate anions. In the crystal, the complex fragment [Cu2(C8H15N3O2)2(C8H17N3O2)2] and the ion pair C8H18N3O2 +.C9H16N3O4 − are connected via an extended system of hydrogen bonds.
doi:10.1107/S160053681204620X
PMCID: PMC3588739  PMID: 23468704
15.  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
16.  (E)-2-(4-Benz­yloxy-2-hy­droxy­benzyl­idene)-N-phenyl­hydrazinecarbothio­amide 
The title compound, C21H19N3O2S, exists in the thione form. The configuration about the C=N bond is E. The hydrazinecarbothio­amide unit adopts an almost planar arrangement, with maximum deviations of 0.016 (3) and −0.016 (2) Å for the two thio­urea N atoms. An intra­molecular O—H⋯N hydrogen bond occurs. Weak inter­molecular N—H⋯S, C—H⋯O and C—H⋯π inter­actions are observed in the crystal structure.
doi:10.1107/S1600536811049658
PMCID: PMC3239056  PMID: 22199904
17.  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
18.  (3,3′-{(1E,1′E)-1,1′-[Ethane-1,2-diylbis(azan-1-yl-1-yl­idene-κN)]bis­(ethan-1-yl-1-yl­idene)}di­pyrazine 1-oxide-κN 4)bis­(nitrato-κO)nickel(II) monohydrate 
In the title complex, [Ni(NO3)2(C14H16N6O2)]·H2O, the NiII atom, lying on a twofold rotation axis, is coordinated by a tetra­dentate 3,3′-{(1E,1′E)-1,1′-[ethane-1,2-diylbis(azan-1-yl-1-yl­idene)]bis­(ethan-1-yl-1-yl­idene)}di­pyrazine 1-oxide ligand and two mutually trans monodentate nitrate anions in a distorted o­cta­hedral geometry. The lattice water mol­ecule is located on a twofold rotation axis. The complex mol­ecules are linked by the water mol­ecules through O—H⋯O hydrogen bonds into a chain along [001]. Further C—H⋯O hydrogen bonds lead to the formation of a three-dimensional network.
doi:10.1107/S1600536813009355
PMCID: PMC3647806  PMID: 23723772
19.  (Methanol-κO)-cis-dioxido{(4Z,N′E)-N′-[(Z)-4-oxido-4-phenyl­but-3-en-2-yl­idene]iso­nicotino­hydrazidato}molybdenum(VI) 
In the title complex, [Mo(C16H13N3O2)O2(CH3OH)], the deprotonated Schiff base (E)-N′-[(Z)-4-oxido-4-phenyl­but-3-en-2-yl­idene]isonicotinohydrazide coordinates in a meridional fashion through the enolate O-, imine N- and amidate O-atom donors to the Mo atom of a cis-[MoO2]2+ core. The sixth coordination site of molybdenum is occupied by the O atom of a methanol mol­ecule. In this complex, the NO5 coordination sphere adopts a distorted octa­hedral coordination geometry. The metal atom is shifted by 0.335 (1) Å from the square plane defined by the three donor atoms of the Schiff base ligand and one oxide group towards the second oxide group in the cis position. In the crystal, the complex forms inversion dimers through a pair of O—H⋯N hydrogen bonds involving the methanol –OH group and the pyridine N atom. Additional C—H⋯O contacts stack the mol­ecules along the b axis.
doi:10.1107/S1600536813019077
PMCID: PMC3793694  PMID: 24109281
20.  [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
21.  Bis{μ-2-[bis­(pyridin-2-yl)methyl­idene]hydrazinecarbothio­amidato}bis­[bromido­copper(II)] methanol disolvate 
In the centrosymmetric binuclear title compound, [Cu2Br2(C12H10N5S)2]·2CH3OH, the CuII ion adopts a slightly dis­torted square-pyramidal coordination geometry. The hydrazine carbothio­amide moiety and one of the pyridyl rings together adopt an almost planar arrangement, with a maximum deviation of 0.052 (4) Å for the C atom of the thio­urea moiety. There are two mol­ecules of methanol solvent per complex in the asymmetric unit. The nonconventional intra­molecular C—H⋯Br hydrogen bonds make the mol­ecule more rigid, whereas the conventional N—H⋯N and O—H⋯Br inter­molecular hydrogen-bonding inter­actions, supported with N—H⋯π inter­actions, establish a supra­molecular linkage among the mol­ecules in the crystal. An intermolecular C—H⋯O inter­action is also present.
doi:10.1107/S1600536812005934
PMCID: PMC3297285  PMID: 22412475
22.  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
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.  Crystal structure of 2-hy­droxy­imino-2-(pyridin-2-yl)-N′-[1-(pyridin-2-yl)ethyl­idene]acetohydrazide 
The mol­ecule of the title compound is approximately planar with the planes of the two pyridine rings inclined to one another by 5.51 (7)°. In the crystal, mol­ecules are linked by bifurcated O—H⋯(O,N) hydrogen bonds, forming inversion dimers, which are in turn linked via C—H⋯O and C—H⋯N hydrogen bonds, forming sheets lying parallel to (502).
The mol­ecule of the title compound, C14H13N5O2, is approximately planar (r.m.s deviation for all non-H atoms = 0.093 Å), with the planes of the two pyridine rings inclined to one another by 5.51 (7)°. The oxime group is syn to the amide group, probably due to the formation of an intra­molecular N—H⋯N hydrogen bond that forms an S(6) ring motif. In the crystal, mol­ecules are linked by pairs of bifurcated O—H⋯(O,N) hydrogen bonds, forming inversion dimers. The latter are linked via C—H⋯O and C—H⋯N hydrogen bonds, forming sheets lying parallel to (502). The sheets are linked via π–π stacking inter­actions [inter-centroid distance = 3.7588 (9) Å], involving the pyridine rings of inversion-related mol­ecules, forming a three-dimensional structure.
doi:10.1107/S1600536814025793
PMCID: PMC4257442  PMID: 25552998
crystal structure; hy­droxy­imino; acetohydrazide; pyridyl­ethyl­idene; hydrogen bonding; π–π stacking inter­actions
25.  Dichlorido{(2E)-2-[phen­yl(pyridin-2-yl)methyl­idene]hydrazinecarbo­thio­amide}cadmium(II) methanol monosolvate 
In the title compound, [CdCl2(C13H12N4S)]·CH3OH, the coord­ination geometry of the CdII ion is slightly distorted square-pyramidal, as indicated by the τ index of 0.36 (8). The S atom, two N atoms from the pyridyl-azomethine moiety and one of the Cl atoms comprise the basal plane, while the other Cl atom occupies the apical position. The hydrazinecarbo­thio­amide moiety adopts an E conformation with respect to the azomethine bond. The solvate mol­ecule in the crystal lattice plays a major role in inter­connecting adjacent mol­ecules by means of O—H⋯Cl and N—H⋯O hydrogen-bonding inter­actions. A supra­molecular three-dimensional architecture is sustained in terms of further N—H⋯Cl and C—H⋯Cl hydrogen-bonding inter­actions.
doi:10.1107/S1600536814015694
PMCID: PMC4158520  PMID: 25249883
crystal structure

Results 1-25 (500000)