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1.  (E)-N′-(5-Bromo-2-hy­droxy­benzyl­idene)-2-(4-isobutyl­phen­yl)propano­hydrazide 
The title compound, C20H23BrN2O2, containing an ibuprofen core, crystallizes with three independent mol­ecules of similar conformation in the asymmetric unit. In these three mol­ecules, the two benzene rings make dihedral angles of 82.7 (2), 71.2 (2) and 78.0 (3)° with respect to each other. The atoms of the isobutyl groups in two of the mol­ecules are disordered over two positions, with site-occupancy ratios of 0.516 (8):0.484 (8) and 0.580 (8):0.420 (8). In the crystal, mol­ecules are linked by N—H⋯O, C—H⋯O and O—H⋯N hydrogen bonds. Furthermore, C—H⋯π inter­actions are also observed.
doi:10.1107/S1600536812030322
PMCID: PMC3414297  PMID: 22904830
2.  (E)-N′-(2-Hydroxy­benzyl­idene)-2-(4-isobutyl­phen­yl)propanohydrazide 
The title hydrazide compound, C20H24N2O2, exists in a trans configuration with respect to the acyclic C=N bond and an intra­molecular O—H⋯N hydrogen bond generates an S(6) ring motif. The mean plane through the formohydrazide unit is essentially planar [maximum deviation = 0.025 (2) Å], and forms dihedral angles of 24.45 (16) and 87.14 (16)° with the two benzene rings. In the crystal structure, inter­molecular N—H⋯O and C—H⋯O hydrogen bonds link neighbouring mol­ecules into extended chains along the c axis, which incorporate R 2 2(16) ring motifs. An inter­molecular C—H⋯π inter­action is also observed.
doi:10.1107/S1600536809050971
PMCID: PMC2980184  PMID: 21580121
3.  (2E)-2-Hydroxy­imino-N′-[(E)-2-pyridyl­methyl­ene]propanohydrazide 
In the title compound, C9H10N4O2, the pyridine ring is twisted by 16.5 (1)° from the mean plane defined by the remaining non-H atoms. An intra­molecular N—H⋯N inter­action is present. In the crystal, inter­molecular O—H⋯N and N—H⋯O hydrogen bonds link mol­ecules into layers parallel to the bc plane. The crystal packing exhibits π–π inter­actions indicated by the short distance of 3.649 (1) Å between the centroids of the pyridine rings of neighbouring mol­ecules.
doi:10.1107/S1600536809034400
PMCID: PMC2970200  PMID: 21577872
4.  2,4-Dichloro-6-({2-[(3,5-dichloro-2-hy­droxy­benzyl­idene)amino]­eth­yl}imino­meth­yl)phenol 
The title mol­ecule, C16H12Cl4N2O2, lies about an inversion center. The symmetry-unique part of the mol­ecule contains an intra­molecular O—H⋯N hydrogen bond. In the crystal, mol­ecules are arranged in corrugated layers parallel to (-101). Weak π–π stacking inter­actions, with a centroid–centroid diatance of 3.7923 (13) Å, are present.
doi:10.1107/S1600536812020235
PMCID: PMC3379294  PMID: 22719492
5.  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
6.  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
7.  (E)-N′-(5-Bromo-2-hy­droxy­benzyl­idene)-3,5-dihy­droxy­benzohydrazide monohydrate 
The Schiff base mol­ecule in the title compound, C14H11BrN2O4·H2O, is almost planar with an r.m.s. deviation for the non-H atoms of 0.16 Å. In the crystal structure, the Schiff base mol­ecules and the water mol­ecules are linked together by inter­molecular N—H⋯O and O—H⋯O hydrogen bonds, leading to layers parallel to the bc plane. An intra­molecular O—H⋯N hydrogen bond involving the imine N atom and a hy­droxy substituent is also observed.
doi:10.1107/S1600536810027856
PMCID: PMC3007438  PMID: 21588352
8.  Ethyl (2E)-2-(hydroxy­imino)propanoate 
The mol­ecule of the title compound, C5H9NO3, is essentially planar [the maximum deviation for a non-H atom from the mean plane is 0.021 (3) Å] due to the π-conjugation of the hydroxy­imino and carbonyl groups, which are trans to each other; ab initio calculations in vacuo at the DFT (B3LYP/6–311G**++) level of theory confirmed that E conformer is indeed the lowest in energy. The packing in crystal structure is influenced by strong inter­molecular O—H⋯N hydrogen-bonding inter­actions between oxime groups and also by π-stacking of the mol­ecules due to the carbonyl and oxime group orbital overlap [inter­planar distance between adjacent mol­ecules = 3.143 (4) Å]. Jointly, these factors afford infinite 6.32 Å thick mol­ecular sheets, where the plane of each mol­ecule is perpendicular to the plane of the sheet. Seen from above, the mol­ecules within the sheet are arranged in a herringbone pattern. Such sheets form a stack due to weak van der Waals inter­actions; the gap between adjacent sheets is 2.07 Å.
doi:10.1107/S1600536810009438
PMCID: PMC2983986  PMID: 21580705
9.  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
10.  3-Chloro-N′-(4-hy­droxy­benzyl­idene)benzohydrazide 
The title compound, C14H11ClN2O2, was prepared by the reaction of 4-hy­droxy­benzaldehyde with 3-chloro­benzo­hydrazide in methanol. The dihedral angle between the two benzene rings is 38.2 (2)°. In the crystal, mol­ecules are linked through inter­molecular N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds, forming layers lying parallel to the bc plane.
doi:10.1107/S1600536811000699
PMCID: PMC3051464  PMID: 21523015
11.  3-Chloro-N′-(3-eth­oxy-2-hy­droxy­benzyl­idene)benzohydrazide monohydrate 
In the title compound, C16H15ClN2O3·H2O, the water mol­ecule is linked to the Schiff base mol­ecule via an O—H⋯O hydrogen bond. In the Schiff base mol­ecule, an intramolecular O—H⋯N hydrogen bond occurs and the dihedral angle between the two benzene rings is 20.5 (5)°. In the crystal, the Schiff base and water mol­ecules are linked by inter­molecular N—H⋯O and O—H⋯O hydrogen bonds, forming layers in the ab plane.
doi:10.1107/S160053681100122X
PMCID: PMC3051784  PMID: 21523054
12.  (E)-2-(4-Benz­yloxy-2-hy­droxy­benzyl­idene)-N-methyl­hydrazinecarbo­thio­amide 
The mol­ecule of the title compound, C16H17N3O2S, adopts an E conformation with respect to the azomethine C=N bond. The hydrazinecarbo­thio­amide fragment is close to planar, with a largest deviation from the least-squares plane of 0.079 (2) Å for the hydrazide N atom. This fragment forms a dihedral angle of 9.43 (9)° with the central benzene ring. The benzene rings are inclined to one another by 67.55 (12)°. The mol­ecular conformation is stabilized by an intra­molecular O—H⋯N hydrogen bond involving the azomethine N atom. In the crystal, mol­ecules are linked through weak N—H⋯S and N—H⋯O hydrogen bonds into double ribbons along [010]. The crystal packing also features C—H⋯π inter­actions.
doi:10.1107/S1600536813034892
PMCID: PMC3998281  PMID: 24764842
13.  (E)-N′-(5-Bromo-2-hy­droxy­benzyl­idene)-3-methyl­benzohydrazide 
In the title mol­ecule, C15H13BrN2O2, an intra­molecular O—H⋯N hydrogen bond influences the mol­ecular conformation; the two benzene rings form a dihedral angle of 13.6 (3)°. In the crystal, inter­molecular N—H⋯O hydrogen bonds link the mol­ecules into chains along the a axis and weak inter­molecular C—H⋯O hydrogen bonds further link these chains into layers parallel to the ac plane.
doi:10.1107/S1600536811025426
PMCID: PMC3212273  PMID: 22090930
14.  4,6-Dichloro-2-{[(E)-(3-{[(E)-3,5-dichloro-2-hy­droxy­benzyl­idene]amino}-2,2-dimethyl­prop­yl)imino]­meth­yl}phenol 
In the title compound, C19H18Cl4N2O2, a potential tetra­dentate Schiff base ligand, the dihedral angle between the two benzene rings is 48.01 (10)°. The configuration about the two C=N bonds is E and two intra­molecular O—H⋯N hydrogen bonds make S(6) ring motifs. In the crystal, mol­ecules are linked along the b axis via inter­molecular C—H⋯Cl inter­actions. The crystal structure is further stabilized by an inter­molecular π–π inter­action [centroid–centroid distance = 3.5744 (12) Å].
doi:10.1107/S1600536811053438
PMCID: PMC3254485  PMID: 22259428
15.  4,6-Dibromo-2-[(E)-(4-{[(E)-3,5-dibromo-2-hy­droxy­benzyl­idene]amino}­butyl)­imino­meth­yl]phenol 
The asymmetric unit of the title compound, C18H16Br4N2O2, comprises half the molecule, which is located adjacent to an inversion centre at the mid-point of the central C—C bond of the butane-1,4-diamine segment. There are two intra­molecular O—H⋯N hydrogen bonds making S(6) ring motifs. In the crystal, mol­ecules are linked by pairs of weak C—H⋯Br inter­actions into chains along [101], which include R 2 2(8) ring motifs. These chains are further linked by C—H⋯O hydrogen bonds, forming a three-dimensional network.
doi:10.1107/S1600536812028863
PMCID: PMC3394053  PMID: 22798918
16.  4-Bromo-2-[(E)-(2-{2-[(2-{[(E)-5-bromo-2-hy­droxy­benzyl­idene]amino}­phen­yl)sulfan­yl]ethyl­sulfan­yl}phen­yl)imino­meth­yl]phenol 
The asymmetric unit of the title compound, C28H22Br2N2O2S2, comprises half of a Schiff base ligand, the whole mol­ecule being generated by a crystallographic inversion center located at the mid-point of the C—C bond of the central methyl­ene segment. Intra­molecular O—H⋯N and O—H⋯S hydrogen bonds make S(6) and S(5) ring motifs, respectively. In the crystal, there are no significant inter­molecular inter­actions.
doi:10.1107/S1600536812034071
PMCID: PMC3435662  PMID: 22969535
17.  N′-[(E)-4-Benz­yloxy-2-hy­droxy­benzyl­idene]-4-nitro­benzohydrazide di­methyl­formamide monosolvate 
The title compound, C21H17N3O5·C3H7NO, exists in an E conformation with respect to the azomethine double bond of the hydrazide mol­ecule. This mol­ecule contains an intra­molecular O—H⋯N hydrogen bond, while an inter­molecular N—H⋯O hydrogen bond links the hydrazide to the formamide mol­ecule of solvation. Nonclassical C—H⋯O inter­molecular hydrogen bonds build up a supra­molecular architecture, together with two C—H⋯π inter­actions and a weak π–π inter­action, with a centroid–centroid distance of 3.650 (13) Å.
doi:10.1107/S1600536813017091
PMCID: PMC3770421  PMID: 24046706
18.  N′-(4-Hy­droxy­benzyl­idene)-4-nitro­benzohydrazide 
The title compound, C14H11N3O4, was prepared by the reaction of 4-nitro­benzohydrazide with 4-hy­droxy­benz­alde­hyde. The whole mol­ecule of the compound is approximately planar, with a mean deviation from the least-squares plane through all the non-H atoms of 0.050 (2) Å; the dihedral angle between the two benzene rings is 2.0 (2)°. In the crystal, the benzohydrazide mol­ecules are linked through inter­molecular O—H⋯O and N—H⋯O hydrogen bonds, forming layers in the bc plane.
doi:10.1107/S1600536810042364
PMCID: PMC3009258  PMID: 21589112
19.  3-{4-[(2-Hy­droxy­benzyl­idene)amino]-3-methyl-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-1-yl}-1,3-diphenyl­propan-1-one 
There are two crystallographically independent mol­ecules (A and B) in the asymmetric unit of the title compound, C25H22N4O2S, with almost identical mol­ecular conformations. The hy­droxy­phenyl ring plane and the 1,2,4-triazole ring form dihedral angles of 17.1 (2) and 7.4 (2)° in A and B, respectively. The dihedral angles between 1,2,4-triazole ring and the other two phenyl rings are 89.6 (3) and 83.3 (2)° in mol­ecule A, and 89.2 (3) and 82.2 (2)° in mol­ecule B. One intra­molecular O—H⋯N hydrogen bond is present in each mol­ecule. Weak inter­molecular C—H⋯O hydrogen bonds consolidate the crystal packing.
doi:10.1107/S1600536811034878
PMCID: PMC3200874  PMID: 22059065
20.  N′-(3-Hy­droxy­benzyl­idene)-4-nitro­benzohydrazide 
The title mol­ecule, C14H11N3O4, is approximately planar, with an inter­planar angle between the two benzene rings of 5.8 (2)°. In the crystal, four mol­ecules are linked by an R 4 4(12) motif with pairs of strong O—H⋯O and N—H⋯O hydrogen bonds. The motif is situated about the crystallographic centres of symmetry and it is composed of two pairs of parallel mol­ecules. This quadruplet of mol­ecules is further extended by symmetry-equivalent hydrogen bonds to form layers parallel to the (10) plane. In addition to the hydrogen bonds, there is also a weak π–π inter­action between the benzene rings.
doi:10.1107/S1600536810043564
PMCID: PMC3009013  PMID: 21589165
21.  N′-(5-Bromo-2-hy­droxy­benzyl­idene)-4-nitro­benzohydrazide methanol monosolvate 
In the title compound, C14H10BrN3O4·CH4O, the benzohydrazide mol­ecule is nearly planar [maximum deviation = 0.110 (2) Å]. The mean planes of the two benzene rings make a dihedral angle of 8.4 (3)°. In the benzohydrazide mol­ecule, there is an intra­molecular O—H⋯N hydrogen bond and the NH group is hydrogen bonded to the methanol solvent mol­ecule. In the crystal, inter­molecular O—H⋯O hydrogen bonds involving the methanol solvent mol­ecule link the benzohydrazide mol­ecules to form chains which propagate along the a axis.
doi:10.1107/S1600536811030108
PMCID: PMC3213628  PMID: 22091205
22.  4-({(Z)-5-[(Z)-3-Eth­oxy-4-hy­droxy­benzyl­idene]-3-methyl-4-oxo-1,3-thia­zolidin-2-yl­idene}amino)­benzoic acid dimethyl­formamide monosolvate 
The mol­ecular structure of the title compound, C20H18N2O5S·C3H7NO, represents an essentially planar 5-benzyl­idene-thia­zolidine moiety (r.m.s. deviation from planarity without ring substituents = 0.095 Å) to which the 4-amino­benzoic acid fragment is inclined at 76.23 (1)°. In the crystal, the benzoic acid mol­ecules are arranged in layers parallel to [001] which are built up from inversion dimers held together by head-to-tail phenol–carb­oxy O—H⋯O hydrogen bonds and head-to-tail π–π stacking inter­actions between the 5-benzyl­idene-thia­zolidine moieties (ring centroid distance = 3.579 Å). These layers are separated by the dimethyl­formamide solvent mol­ecules which are firmly anchored via a short O—H⋯O hydrogen bond [O⋯O = 2.5529 (10) Å] donated by the –COOH group.
doi:10.1107/S1600536812047307
PMCID: PMC3589002  PMID: 23476238
23.  3-(Adamantan-1-yl)-1-[(4-benzyl­piperazin-1-yl)meth­yl]-4-[(E)-(2-hy­droxy­benzyl­idene)amino]-1H-1,2,4-triazole-5(4H)-thione 
In the title compound, C31H38N6OS, the conformation about the N=C [1.285 (2) Å] imine bond is E. The piperazine ring has a chair conformation and occupies a position almost perpendicular to the plane through the triazole ring; the benzene ring forms a dihedral angle of 31.95 (10)° with the triazole ring. Overall, the mol­ecule has the shape of a flattened bowl. The hy­droxy group is disordered over two positions. The major component has a site-occupancy factor of 0.762 (3) and forms an intra­molecular O—H⋯N(imine) bond to close an S(6) loop. The minor component of the disordered hy­droxy group forms an O—H⋯N(piperazine) hydrogen bond. These, along with C—H⋯S and C—H⋯N inter­actions, link mol­ecules into a three-dimensional architecture.
doi:10.1107/S1600536812021204
PMCID: PMC3379350  PMID: 22719548
24.  3-{2-[2-(3-Hy­droxy­benzyl­idene)hydrazin-1-yl]-1,3-thia­zol-4-yl}-2H-chromen-2-one hemihydrate 
In the title compound, C19H13N3O3S·0.5H2O, both organic mol­ecules (A and B) exist in E configurations with respect to the acyclic C=N bond and have similar overall conformations. In mol­ecule A, the essentially planar thia­zole ring [maximum deviation = 0.010 (2) Å] is inclined at inter­planar angles of 11.44 (10) and 32.50 (12)°, with the 2H-chromene ring system and the benzene ring, respectively. The equivalent values for mol­ecule B are 0.002 (2) Å, 7.71 (9) and 12.51 (12)°. In the crystal structure, neighbouring mol­ecules are inter­connected into infinite layers lying parallel to (010) by O—H⋯O, O—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds. Further stabilization of the crystal structure is provided by weak inter­molecular C—H⋯π and π–π [centroid–centroid distance = 3.6380 (19) Å] inter­actions.
doi:10.1107/S1600536810019653
PMCID: PMC2979574  PMID: 21579559
25.  Benzyl N-(2-hy­droxy-1-{N′-[(1E)-2-hy­droxy­benzyl­idene]hydrazinecarbon­yl}eth­yl)carbamate 
The mol­ecule of the title compound, C18H19N3O5, adopts a curved arrangement with the terminal benzene rings lying to the same side. The hydroxyl­benzene ring is close to coplanar with the adjacent hydrazine residue [dihedral angle = 11.14 (12)°], an observation which correlates with the presence of an intra­molecular O—H⋯N hydrogen bond. The benzyl ring forms a dihedral angle of 50.84 (13)° with the adjacent carbamate group. A twist in the mol­ecule, at the chiral C atom, is reflected in the dihedral angle of 80.21 (12)° formed between the amide residues. In the crystal, two-dimensional arrays in the ac plane are mediated by O—H⋯O and N—H⋯O hydrogen bonds.
doi:10.1107/S1600536811025128
PMCID: PMC3151747  PMID: 21837230

Results 1-25 (257386)