PMCC PMCC

Search tips
Search criteria

Advanced
Results 1-25 (631479)

Clipboard (0)
None

Related Articles

1.  Bis{N-ethyl-2-[3-(hy­droxy­imino-κN)butan-2-yl­idene]hydrazinecarbothio­amide-κ2 N 2,S}nickel(II) dichloride 
In the title complex, [Ni(C7H14N4OS)2]Cl2, the 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 groups. Two chloride ions complete the asymmetric unit. In the crystal, mol­ecules are linked through N—H⋯Cl and O—H⋯Cl hydrogen bonds into an infinite chain propagating along [101].
doi:10.1107/S1600536811055383
PMCID: PMC3274909  PMID: 22346856
2.  (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
3.  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
4.  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
5.  (Z)-N-Methyl-2-(5-methyl-2-oxoindolin-3-yl­idene)hydrazinecarbothio­amide 
In the title compound, C11H12N4OS, an intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, the mol­ecules form a helical chain along the a axis through an N—H⋯O hydrogen bond. These chains are extended by an N—H⋯S hydrogen bond and a C—H⋯π inter­action into a three-dimensional network.
doi:10.1107/S1600536812005417
PMCID: PMC3343935  PMID: 22590016
6.  (Z)-N-Methyl-2-(5-nitro-2-oxoindolin-3-yl­idene)hydrazinecarbothio­amide 
In the title compound, C10H9N5O3S, an intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are linked via N—H⋯S hydrogen bonds into a zigzag chain along the b axis. C—H⋯O inter­actions are observed between the chains.
doi:10.1107/S1600536812001183
PMCID: PMC3343934  PMID: 22590015
7.  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
8.  (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
9.  (E)-2-[1-(3-Chloro-4-fluoro­phen­yl)ethyl­idene]hydrazinecarbothio­amide 
In the crystal of the title compound, C9H9ClFN3S, the molecules are inter­connected by N—H⋯S and N—H⋯F hydrogen bonds. There are two different N—H⋯S hydrogen bond: the stronger one links mol­ecules into infinite chains along the b axis with graph-set motif C(4), while the weaker N—H⋯S hydrogen bond combines with the previous one into an R 2 2(8) network. Moreover, the chains are linked into layers parallel to (102) by weak N—H⋯F hydrogen bonds, which form an R 2 2(22) ring motif. In addition, there are also weak π–π inter­actions between the benzene rings of adjacent mol­ecules [centroid–centroid distance = 3.8997 (15) Å].
doi:10.1107/S1600536810051093
PMCID: PMC3050128  PMID: 21522787
10.  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
11.  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
12.  (2E)-2-{[3-Methyl-5-(2-naphth­yloxy)-1-phenyl-1H-pyrazol-4-yl]methyl­idene}hydrazinecarbothio­amide monohydrate 
In the title compound, C22H19N5OS·H2O, the naphthalene ring system and the benzene ring [dihedral angle = 85.19 (8)°] make dihedral angles of 87.02 (9) and 14.41 (10)°, respectively, with the pyrazole ring. The mean plane through the 2-methyl­enehydrazinecarbothio­amide group [C—N—N—C(=S)—N; maximum deviation = 0.022 (1) Å] is slightly twisted from the pyrazole ring [dihedral angle = 5.60 (11)°]. In the crystal, mol­ecules are linked by N—H⋯S, N—H⋯O, O—H⋯S, O—H⋯N and C—H⋯S hydrogen bonds into sheets parallel to the ab plane. π–π inter­actions are also observed [centroid-to-centroid distances = 3.7778 (12) and 3.7010 (12) Å].
doi:10.1107/S1600536812039815
PMCID: PMC3470403  PMID: 23125816
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.  (E)-2-(2-Methyl­cyclo­hexyl­idene)hydrazinecarbothio­amide 
In the crystal of the title compound, C8H15N3S, mol­ecules are linked by N—H⋯S hydrogen bonds, forming chains along [10]. An intra­molecular N—H⋯N hydrogen bond is also present.
doi:10.1107/S1600536811042486
PMCID: PMC3247404  PMID: 22220022
15.  (Z)-2-(5-Fluoro-2-oxoindolin-3-yl­idene)-N-phenyl­hydrazinecarbothio­amide 
The title compound, C15H11FN4OS, crystallizes with three independent mol­ecules (A, B and C) in the asymmetric unit. The dihedral angles between the nine-membered 5-fluoro­indolin-2-one ring system and the benzene ring are 22.14 (11), 12.56 (11) and 3.70 (11)° in mol­ecules A, B and C, respectively. In all three mol­ecules, intra­molecular cyclic N—H⋯O and C—H⋯S hydrogen-bonding inter­actions [graph set S(6)] are present in the N—N—C—N chain between the ring systems. In the crystal, the A mol­ecules form centrosymmetric cyclic dimers through inter­molecular N—H⋯O hydrogen bonds, which are linked into a supramolecular chain along [100] via C—H⋯F interactions; each type of hydrogen bond has graph set graph set R 2 2(8). A similar chain stabilised by similar interactions and also along [100] but, comprising alternating molecules of B and C is found. The latter chains are connected via C—H⋯S interactions, forming a layer with a zigzag topology parallel to (001).
doi:10.1107/S160053681105433X
PMCID: PMC3274981  PMID: 22346926
16.  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
17.  (E)-2-[1-(1-Benzothio­phen-3-yl)ethyl­idene]hydrazinecarbothio­amide methanol hemisolvate 
The asymmetric unit of the title compound, C11H11N3S2·0.5CH4O, contains four thio­semicarbazone mol­ecules and two methanol solvent mol­ecules. Each hydrazinecarbothio­amide mol­ecule adopts an E configuration with respect to the C=N double bond and is stabilized by an intra­molecular N—H⋯N hydrogen bond, resulting in an S(5) ring motif. In the crystal structure, an extensive network of N—H⋯O, N—H⋯N, O—H⋯S and N—H⋯S hydrogen bonds and weak C—H⋯O, C—H⋯N and C—H⋯S contacts together with an S⋯S [3.5958 (14) Å] and a C—H⋯π inter­action form a three-dimensional network.
doi:10.1107/S160053680801297X
PMCID: PMC2961618  PMID: 21202547
18.  (Z)-2-(5-Chloro-2-oxoindolin-3-yl­idene)-N-phenyl­hydrazinecarbothio­amide 
In the title compound, C15H11ClN4OS, the dihedral angle between the nine-membered 5-chloro­indolin-2-one ring system and the benzene ring is 10.00 (6)°. Intra­molecular cyclic N—H⋯O and C—H⋯S hydrogen-bonding inter­actions [graph set S(6)] are present in the N—N—C—N chain between the ring systems. In the crystal, mol­ecules form centrosymmetric cyclic dimers through inter­molecular N—H⋯O hydrogen bonds [graph-set R 2 2(8)] and are extended by C—H⋯Cl inter­actions into infinite chains which propagate along [100].
doi:10.1107/S1600536811044199
PMCID: PMC3238816  PMID: 22199669
19.  2-(5-Iodo-2-oxoindolin-3-yl­idene)hydrazinecarbo­thio­amide including an unknown solvate 
The mol­ecule of the title compound, C9H7IN4OS, is almost planar (r.m.s. deviation = 0.0373 Å). In the mol­ecule, N—H⋯N and N—H⋯O hydrogen bonds generate, respectively, S(5) and S(6) ring motifs. In the crystal, mol­ecules are linked via N—H⋯O hydrogen bonds, forming chains propagating along [010]. These chains are linked via S⋯I contacts [3.4915 (16) Å], forming sheets lying parallel to (100). A region of disordered electron density, probably a disordered tetra­hydro­furan solvent mol­ecule, was treated using the SQUEEZE routine in PLATON [Spek (2009). Acta Cryst. D65, 148–155]. The formula mass and unit-cell characteristics were not taken into account during refinement.
doi:10.1107/S1600536814010782
PMCID: PMC4051098  PMID: 24940248
20.  (E)-Methyl 2-({2-eth­oxy-6-[(E)-(hy­droxy­imino)­meth­yl]phen­oxy}meth­yl)-3-phenyl­acrylate 
In the title compound, C20H21NO5, the dihedral angle between the mean planes through the two rings is 47.1 (8)°. The enoate group assumes an extended conformation. The hy­droxy­ethanimine group is essentially coplanar with the benzene ring, the largest deviation from the mean plane being 0.061 (1) Å for the O atom. In the crystal, mol­ecules are linked into cyclic centrosymmetric dimers with an R 2 2(6) motif via pairs of O—H⋯N hydrogen bonds. Inter­molecular C—H⋯O hydrogen bonds form a C(8) chain along the b axis. The crystal packing is further stabilized by C—H⋯π inter­actions.
doi:10.1107/S1600536812014596
PMCID: PMC3344504  PMID: 22590266
21.  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
22.  (2Z)-N-(2-Chloro­benz­yl)-2-(2-oxo-2,3-dihydro-1H-indol-3-yl­idene)hydrazinecarbothio­amide 
In the title compound, C16H13ClN4OS, the isatin ring system is oriented at dihedral angles of 10.60 (7) and 72.60 (3)° with respect to the thio­semicarbazide and 2-chloro­benzyl groups, respectively. The near planarity of the isatin and thio­semicarbazide groups [r.m.s. deviations of 0.0420 and 0.0163 Å, respectively] is reinforced by intra­molecular N—H⋯O and N—H⋯N hydrogen bonds, which generate S(6) and S(5) rings, respectively. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R 2 2(8) loops. Aromatic π–π stacking inter­actions between the centroids of heterocyclic five-membered and benzene rings [distance = 3.6866 (11) Å] are also observed.
doi:10.1107/S1600536812035076
PMCID: PMC3435743  PMID: 22969614
23.  N-Ethyl-2-[1-(2-hy­droxy-4-methyl­phen­yl)ethyl­idene]hydrazinecarbo­thio­amide 
The title compound, C12H17N3OS, crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the benzene ring and the hydrazinecarbo­thio­amide group are 6.9 (4) and 37.2 (5)° in mol­ecules A and B, respectively. An intra­molecular O—H⋯N hydrogen bond is observed in each mol­ecule. This serves to maintain an approximately planar conformation for mol­ecule A, but leaves a significant twist between these two groups in mol­ecule B. In the crystal, a weak N—H⋯S inter­action is observed, forming inversion dimers among the B mol­ecules and resulting in an R 2 2(8) motif. These dimers are further inter­connected by weak N—H⋯O and C—H⋯O inter­molecular inter­actions, forming chains along [011].
doi:10.1107/S1600536814012203
PMCID: PMC4051077  PMID: 24940300
24.  (E)-Methyl 3-(4-ethyl­phen­yl)-2-{2-[(E)-(hy­droxy­imino)­meth­yl]phen­oxy­meth­yl}acrylate 
In the title compound, C20H21NO4, the two benzene rings are almost perpendicular to each other, making a dihedral angle of 86.1 (7)°. The hy­droxy­ethanimine group is essentially coplanar with the benzene ring, the largest deviation from the mean plane of the hy­droxy­ethanimine [C=N—OH] group being 0.011 (1) Å for the O atom. An intra­molecular C—H⋯O hydrogen bond occurs. The mol­ecules are linked into cyclic centrosymmetric R 2 2(6) dimers via O—H⋯N hydrogen bonds. Inter­molecular C—H⋯O hydrogen bonds link the mol­ecules, forming a C(8) chain along the a axis. The crystal packing is further stabilized by C—H⋯π inter­actions.
doi:10.1107/S1600536811038359
PMCID: PMC3201344  PMID: 22058811
25.  Ethyl 2-[2-(4-hy­droxy-3-meth­oxy­benzyl­idene)hydrazin-1-yl­idene]-3,4-dimethyl-2,3-dihydro-1,3-thia­zole-5-carboxyl­ate 
The title compound, C16H19N3O4S, is almost planar, with a dihedral angle of 2.88 (9)° between the mean planes of the benzene and thia­zole rings. The mol­ecule adopts an E conformation about the two C=N bonds, with a C—N—N—C torsion angle of −177.01 (11)°. An intra­molecular C—H⋯O hydrogen bond exists between a thia­zole methyl group and the formic acid ethyl ester carbonyl O atom. In the crystal, mol­ecules are linked by O—-H⋯O hydrogen bonds, forming chains propagating along [2-10]. The chains are linked via C—H⋯O hydrogen bonds with R 2 2(12) ring motifs, forming sheets lying parallel to (12-2). The sheets are further linked through out-of-plane C—H⋯N hydrogen bonds with R 2 2(12) ring motifs and C—H⋯π inter­actions, forming an inter­esting three-dimensional supra­molecular architecture.
doi:10.1107/S1600536812043772
PMCID: PMC3515300  PMID: 23284520

Results 1-25 (631479)