PMCC PMCC

Search tips
Search criteria

Advanced
Results 1-25 (338818)

Clipboard (0)
None

Related Articles

1.  N′-[(E)-2-Chloro­benzyl­idene]thio­phene-2-carbohydrazide 
There are two independent mol­ecules in the asymmetric unit of the title compound, C12H9ClN2OS, a Schiff base derived from hydrazide, in which the dihedral angles between the thio­phene and benzene rings are 3.6 (3) and 7.3 (3)°. In the crystal, the two independent mol­ecules are arranged about an approximate non-crystallographic inversion center and are connected by two N—H⋯O hydrogen bonds. Weak C—H⋯Cl contacts are also present. Conversely, there are neither significant aromatic stacking inter­actions nor contacts involving S atoms.
doi:10.1107/S1600536813020850
PMCID: PMC3884466  PMID: 24427070
2.  (E)-N′-(4-Chloro­benzyl­idene)-1-benzofuran-2-carbohydrazide monohydrate 
The title compound, C16H11ClN2O2·H2O, exists in an E conformation with respect to the N=C bond. The benzofuran ring system forms a dihedral angle of 1.26 (4)° with the benzene ring. In the crystal, mol­ecules are linked via (N,C)—H⋯O bifurcated acceptor hydrogen bonds and (O,O,C)—H⋯O trifurcated acceptor hydrogen bonds, forming layers parallel to the bc plane.
doi:10.1107/S1600536812027523
PMCID: PMC3393970  PMID: 22798835
3.  (E)-N′-[3-(4-Chloro­benzo­yloxy)benzyl­idene]pyridine-4-carbohydrazide acetic acid monosolvate monohydrate 
In the Schiff base mol­ecule of the title compound, C20H14ClN3O3·CH3COOH·H2O, the central benzene ring makes dihedral angles of 36.26 (7) and 27.59 (8)°, respectively, with the terminal chloro­phenyl and pyridine rings. In the crystal, the three components are linked by O—H⋯O, N—H⋯O, O—H⋯N and C—H⋯O hydrogen bonds into a double-tape structure along the a axis.
doi:10.1107/S1600536812017369
PMCID: PMC3344622  PMID: 22590384
4.  Crystal structure of (E)-N-{2-[2-(3-chloro­benzyl­idene)hydrazin­yl]-2-oxoeth­yl}-4-methyl­benzene­sulfonamide monohydrate 
The title aryl­sulfonyl glycinyl hydrazone Schiff base compound crystallizes as a monohydrate. In the crystal, a series of O—H⋯O and N—H⋯O hydrogen bonds leads to the formation of corrugated sheets lying parallel to (100).
The mol­ecule of the title compound, C16H16ClN3O3S·H2O, is L-shaped being bent at the S atom; the S—N—C—C torsion angle is 132.0 (3)°. The central part of the mol­ecule, C—C—N—N=C, is almost linear, with the C—C—N—N and C—N—N=C torsion angles being −174.1 (2) and 176.0 (2)°, respectively. The dihedral angle between the p-toluene­sulfonyl ring and the S—N—C—C(=O) segment is 67.5 (4)°, while that between the two aromatic rings is 52.17 (11)°. In the crystal, the water H atom is involved in O—H⋯O hydrogen bonds with a sulfonamide O atom and the carbonyl O atom. The water O atom is itself hydrogen bonded to both NH hydrogen atoms. These four hydrogen bonds lead to the formation of corrugated sheets lying parallel to (100). There are also weak C—H⋯O contacts present within the sheets.
doi:10.1107/S2056989015008506
PMCID: PMC4459383  PMID: 26090131
crystal structure; synthesis; aryl­sulfonyl glycinyl hydrazone; hydrogen bonding
5.  N′-[(E)-1-(5-Chloro-2-hy­droxy­phen­yl)ethyl­idene]pyridine-3-carbohydrazide monohydrate 
In the title compound, C14H12ClN3O2·H2O, the benzene ring and the pyridine rings are oriented at a dihedral angle of 57.73 (12)° and an intra­molecular O—H⋯N hydrogen bond generates an S(6) ring. In the crystal, the water mol­ecule forms O—H⋯O and O—H⋯N hydrogen bonds to the organic mol­ecule, leading to chains containing R 4 4(16) loops. In addition, weak aromatic π–π stacking inter­actions between the centroids of pyridine rings [at distance of 3.864 (2) and 4.013 (2) Å] and C—H⋯π inter­actions occur.
doi:10.1107/S1600536810025213
PMCID: PMC3006986  PMID: 21588074
6.  (E)-N′-(5-Chloro-2-hydroxy­benzyl­idene)-4-(8-quinol­yloxy)butanohydrazide monohydrate 
The crystal of the title Schiff base compound, C20H18ClN3O3·H2O, was twinned by a twofold rotation about (100). The asymmetric unit contains two crystallographically independent mol­ecules with similar conformations, and two water mol­ecules. The C=N—N angles of 115.7 (6) and 116.2 (6)° are significantly smaller than the ideal value of 120° expected for sp 2-hybridized N atoms and the dihedral angles between the benzene ring and quinoline ring system in the two mol­ecules are 52.5 (7) and 53.9 (7)°. The mol­ecules aggregate via C—Cl⋯π and π–π inter­actions [centroid–centroid distances = 3.696 (5)–3.892 (5) Å] and weak C—H⋯O inter­actions as parallel sheets, which are further linked by water mol­ecules through N—H⋯O and O—H⋯O hydrogen bonds into a supra­molecular two-dimensional network.
doi:10.1107/S1600536809023733
PMCID: PMC2969487  PMID: 21582950
7.  N′-(2-Hydr­oxy-3-methoxy­benzyl­idene)-1,3-benzodioxole-5-carbohydrazide monohydrate 
Single crystals of the title compound, C16H14N2O5·H2O, were obtained from a condensation reaction of 1,3-benzodioxole-5-carbohydrazide and 3-methoxy­salicylaldehyde in a 95% ethanol solution. The asymmetric unit consists of a Schiff base mol­ecule, which assumes an E configuration with respect to the C=N bond, and a water mol­ecule of crystallization. The dihedral angle between the two substituted benzene rings is 12.7 (2)°. In the crystal structure, mol­ecules are linked through inter­molecular N—H⋯O and O—H⋯O hydrogen bonds, forming layers parallel to the bc plane.
doi:10.1107/S1600536808040117
PMCID: PMC2967948  PMID: 21581672
8.  N′-[(2-n-Butyl-4-chloro-1H-imidazol-5-yl)­methyl­idene]adamantane-1-carbo­hydrazide sesquihydrate ethanol hemi­solvate 
In the asymmetric unit of the title compound, C19H27ClN4O·0.5C2H6O·1.5H2O, there are two mol­ecules of the Schiff base, which has a rigid adamantyl cage at one end of the C(= O)NH–N=CH– chain and an almost planar [torsion angles = 1.3 (1) and 7.9 (2)° imidazolyl ring at the other end, three mol­ecules of water and one mol­ecule of ethanol. In both independent mol­ecules of the Schiff base, this chain displays an extended zigzag configuration. All their amino groups function as hydrogen-bond donors to water mol­ecules; these are linked to other acceptor atoms, generating a layer structure. O—H⋯O and O—H⋯N inter­actions involving the water mol­ecules also occur.
doi:10.1107/S1600536810029260
PMCID: PMC3007568  PMID: 21588420
9.  (E)-N′-(2-Chloro­benzyl­idene)-1-methyl-4-nitro-1H-pyrrole-2-carbohydrazide 
In the title compound, C13H11ClN4O3, the phenyl and pyrrolyl ring are linked by an ac­yl–hydrazone (R 2C=N—N—CO—R) group, forming a slightly bent mol­ecule: the dihedral angle subtended by the the phenyl and pyrrolyl rings is 8.46 (12)°. In the crystal, the three-dimensional supra­molecular structure is assembled by N—H⋯O hydrogen bonding. Mol­ecular sheets are formed parallel to (101) in a herringbone arrangement by weak van der Waals inter­actions; weak π–π [centroid–centroid phen­yl–phenyl and pyrrol­yl–pyrrolyl distances of 3.7816 (3) and 3.8946 (2) Å, respectively] inter­actions occur between neighbouring sheets.
doi:10.1107/S1600536813034119
PMCID: PMC3914118  PMID: 24527025
10.  4-[(2E)-2-(4-Chloro­benzyl­idene)hydrazinyl­idene]-1-methyl-1,4-dihydro­pyridine monohydrate 
In the title compound, C13H12ClN3·H2O, the organic mol­ecule is almost planar, with a dihedral angle of 3.22 (10)° between the benzene and pyridine rings. The crystal structure is stabilized by O—H⋯N and C—H⋯O hydrogen bonding and π–π stacking inter­actions [centroid–centroid distances = 3.630 (1) and 3.701 (1) Å].
doi:10.1107/S1600536810015709
PMCID: PMC2979526  PMID: 21579416
11.  (E)-N′-(4-Chloro­benzyl­idene)-p-toluene­sulfonohydrazide 0.15-hydrate 
The asymmetric unit of the title compound, C14H13ClN2O2S·0.15H2O, a novel sulfonamide derivative, comprises two crystallographically independent mol­ecules (A and B) and a water mol­ecule of crystallization, which is partially occupied. One of the mol­ecules (B) is disordered over two positions (B and C) with refined site occupancies of 0.605 (10) and 0.395 (10). The dihedral angles between the two benzene rings in mol­ecules A, B and C are 67.8 (3), 74.6 (5) and 84.96 (11)°, respectively. In the crystal structure, inter­molecular N—H⋯O and C—H⋯O hydrogen bonds link the components of the asymmetric unit. The crystal structure is further stabilized by inter­molecular π–π inter­actions [centroid–centroid distances = 3.4518 (10)–3.5859 (10) Å].
doi:10.1107/S1600536809014512
PMCID: PMC2977795  PMID: 21583931
12.  (2E)-N′-[(E)-4-Chloro­benzyl­idene]-3-phenyl­prop-2-enohydrazide monohydrate 
The conformation about each of the imine and ethene bonds in the title hydrazide hydrate, C16H13ClN2O·H2O, is E. The hydrazide mol­ecule is approximately planar (r.m.s. deviation of the 20 non-H atoms = 0.172 Å). The most significant twist occurs about the ethene bond [C—C=C—C = 164.1 (5)°] and the dihedral angle formed between the benzene rings is 5.3 (2)°]. In the crystal, the presence of N—H⋯Ow and O—H⋯Oc (× 2; w = water and c = carbon­yl) hydrogen bonds leads to a supra­molecular array in the bc plane.
doi:10.1107/S160053681003388X
PMCID: PMC3007965  PMID: 21588739
13.  Crystal structure of (1Z)-1-(4-chloro­benzyl­idene)-5-(4-meth­oxy­phen­yl)-3-oxopyrazolidin-1-ium-2-ide 
The planar pyrazolidine ring occurs in the betaine form with a Z conformation of the exocyclic C=N bond. In the crystal, C—H⋯O and C—H⋯π inter­actions result in the formation of ribbons of mol­ecules along [10].
The title mol­ecule, C17H15ClN2O2, is L-shaped with the 4-chloro­benzyl­idene ring almost coplanar with the planar pyrazolidine ring (r.m.s. deviation = 0.020 Å), making a dihedral angle of 4.83 (17)°. The 4-meth­oxy­phenyl ring is almost normal to the mean plane of the pyrazolidine ring and the 4-chloro­benzyl­idene ring, with dihedral angles of 87.36 (17) and 89.23 (16)°, respectively. The pyrazolidine ring occurs in the betaine form with a Z configuration for the exocyclic C=N bond. In the crystal, C—H⋯O and C—H⋯π inter­actions generate ribbons of mol­ecules along [1-10].
doi:10.1107/S1600536814014445
PMCID: PMC4158503  PMID: 25249861
crystal structure; pyrazolidinium ylide; betaine structure
14.  1-{2-[(4-Chloro­benzyl­idene)amino]phen­yl}-3-phenyl­thio­urea 
The asymmetric unit of the title compound, C20H16ClN3S, contains two independent mol­ecules, A and B. In mol­ecule A, the dihedral angles between the central benzene ring and the pendant chloro­benzene and phenyl rings are 6.37 (15) and 64.79 (15)°, respectively. The corresponding values in mol­ecule B are 28.21 (14) and 82.11 (16)°, respectively. Each mol­ecule features an intra­molecular N—H⋯N hydrogen bond, which generates an S(5) ring. In the crystal, mol­ecules A and B form dimers, being linked by two N—H⋯S hydrogen bonds with graph-set notation R 2 2(8).
doi:10.1107/S1600536812006228
PMCID: PMC3295530  PMID: 22412641
15.  N′-[(E)-2-Hy­droxy-5-iodo­benzyl­idene]furan-2-carbohydrazide monohydrate 
The organic mol­ecule of the title monohydrate, C12H9IN2O3·H2O, features a disordered furyl ring with the major component [site occupancy = 0.575 (18)] having the carbonyl O and furyl O atoms syn, and the other conformation having these atoms anti. The mol­ecule is slightly twisted with the dihedral angle between the benzene and furyl rings being 10.3 (6)° (major component). An intra­molecular O—H⋯N(imine) hydrogen bond is formed. In the crystal, the water mol­ecule accepts a hydrogen bond from an amine H atom, and forms two O—H⋯O(carbon­yl) hydrogen bonds, thereby linking three different carbohydrazide mol­ecules. The result is a supra­molecular layer parallel to (001). The closest contacts between layers are of the type I⋯I, at a distance of 3.6986 (6) Å.
doi:10.1107/S1600536811055826
PMCID: PMC3275173  PMID: 22347029
16.  2′-(3-Hydroxy­benzyl­idene)pyrazine-2-carbohydrazide monohydrate 
The title compound, C12H10N4O2·H2O, was synthesized by the reaction of pyrazine-2-carboxylic acid hydrazide and 3-hydroxy­benzaldehyde in ethanol. In the crystal structure, the organic mol­ecules are linked into extended chains by inter­molecular N(amide)—H⋯O(hydr­oxy) hydrogen bonds. Additional hydrogen bonds between the water mol­ecule and three adjacent organic mol­ecules, as well as face-to-face π–π stacking inter­actions between the benzene and pyrazine rings [centroid-to-centroid separation = 3.669 (2) Å and offset = 1.362 Å], link the mol­ecules into a three-dimensional framework.
doi:10.1107/S1600536807062708
PMCID: PMC2915038  PMID: 21200959
17.  Crystal structure of 2-[(E)-2-(2-chloro­benzyl­idene)hydrazin-1-yl]-4-phenyl-1,3-thia­zole 
The asymmetric unit of the title compound, C16H12ClN3S, contains two independent mol­ecules whose conformations differ primarily in the orientations of the phenyl and chloro­benzene rings with respect to the thia­zole ring. In the first mol­ecule, the dihedral angles are 3.0 (1) and 9.2 (1)°, respectively, for the phenyl ring and the chloro­benzene ring, while in the second mol­ecule, the corresponding angles are 18.6 (1) and 23.4 (1)°. In the crystal, the two independent mol­ecules are associated via complementary N—H⋯N hydrogen bonds into a dimer. These dimers are associated through weak C—H⋯Cl and C—H⋯S inter­actions into supra­molecular chains propagating along the a-axis direction.
doi:10.1107/S1600536814016298
PMCID: PMC4186150  PMID: 25309246
crystal structure; 1,3-thia­zole; hydrogen bonding; hydrogen-bonded dimers
18.  Bis{(E)-N′-[2,4-bis(trifluoro­meth­yl)benzyl­idene]isonicotinohydrazide} monohydrate 
The asymmetric unit of the title compound, 2C15H9F6N3O·H2O, contains two independent Schiff base mol­ecules and one water mol­ecule. Both Schiff base mol­ecules exist in an E configuration with respect to the C=N double bonds and the dihedral angles between the benzene and the pyridine rings in the two mol­ecules are 17.53 (12) and 20.62 (12)°. In the crystal structure, mol­ecules are linked by inter­molecular N—H⋯O and C—H⋯O hydrogen bonds into infinite one-dimensional chains along the a axis. In addition, inter­molecular O—H⋯N, O—H⋯F, C—H⋯F and C—H⋯O hydrogen bonds further link these chains into a three-dimensional network. Weak π–π inter­actions with centroid–centroid distances in the range 3.6495 (17)–3.7092 (16) Å are also observed.
doi:10.1107/S1600536810025493
PMCID: PMC3007333  PMID: 21588249
19.  N′-(2-Chloro­benzyl­idene)benzo­hydrazide 
The asymmetric unit of the title compound, C14H11ClN2O, contains two independent mol­ecules. In one mol­ecule, the two aromatic rings form a dihedral angle of 45.94 (16)°, while in the second mol­ecule this angle is 58.48 (16)°. In the crystal, inter­molecular N—H⋯O hydrogen bonds link the mol­ecules into two crystallographically independent sets of chains propagating along [001].
doi:10.1107/S1600536809040331
PMCID: PMC2971129  PMID: 21578286
20.  2-(1,3-Dioxoisoindolin-2-yl)acetic acid–N′-[(E)-4-meth­oxy­benzyl­idene]pyridine-4-carbohydrazide (2/1) 
In the crystal structure of the title compound, 2C10H7NO4·C14H13N3O2, the two independent acid mol­ecules are connected through strong O—H⋯N and O—H⋯O hydrogen bonds to the central mol­ecule of the anti­tubercular drug N′-[(E)-4-meth­oxy­benzyl­idene]pyridine-4-carbohydrazide. Two such trimolecular units related by an inversion centre inter­act through a pair of N—H⋯O hydrogen bonds, forming a 3 + 3 mol­ecular aggregate. The dihedral angle between the aromatic rings of the hydrazone mol­ecule is 1.99 (12)°. The crystal packing features weak C—H⋯O and π–π stacking inter­actions, with centroid–centroid distances of 3.8460 (19) and 3.8703 (13) Å.
doi:10.1107/S1600536812038032
PMCID: PMC3470249  PMID: 23125693
21.  N′-{(E)-[5-(Hy­droxy­meth­yl)furan-2-yl]methyl­idene}pyridine-4-carbohydrazide dihydrate 
In the title compound, C12H11N3O3·2H2O, the dihedral angle formed by the planes of the pyridine and the furan rings of the organic carbohydrazide mol­ecule is 4.66 (7)°. In the crystal, these mol­ecules form stacks along the b-axis direction, neighbouring mol­ecules within each stack being related by inversion and the shortest distance between the centroids of the pyridine and furan rings being 3.714 (1) Å. Mol­ecules from neighboring stacks are linked by pairs of N—H⋯O hydrogen bonds. The water mol­ecules fill the channels between the stacks being linked by O—H⋯O hydrogen bonds into helices along [010]. Besides this, water mol­ecules are involved in O—H⋯N and O—H⋯O hydrogen bonds with the carbohydrazide mol­ecules, thus forming a three-dimensional network, augmented by weak C—H⋯O interactions.
doi:10.1107/S1600536813020114
PMCID: PMC3793823  PMID: 24109410
22.  N′-(4-Chloro­benzyl­idene)furan-2-carbohydrazide monohydrate 
In the title compound, C12H9ClN2O2·H2O, the dihedral angle between the aromatic rings is 13.9 (2)° and an intra­molecular N—H⋯O hydrogen bond occurs. In the crystal structure, the components are linked by N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds.
doi:10.1107/S1600536810005532
PMCID: PMC2983546  PMID: 21580384
23.  N′-(2-Hydr­oxy-5-chloro­benzyl­idene)-4-nitro­benzohydrazide methanol solvate 
The title compound, C14H10ClN3O4·CH4O, was synthesized from the reaction of 5-chloro­salicylaldehyde with 4-nitro­benzohydrazide in methanol. The Schiff base mol­ecule is nearly planar, with a dihedral angle of 9.1 (3)° between the two benzene rings. The methanol solvent mol­ecules are linked to the Schiff base mol­ecules by N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds, forming chains running parallel to the a axis.
doi:10.1107/S160053680800843X
PMCID: PMC2961199  PMID: 21202274
24.  (E)-N′-(2-Chloro­benzyl­idene)-3,5-di­hydroxy­benzohydrazide dihydrate 
In the Schiff base mol­ecule of the title compound, C14H11ClN2O3·2H2O, the benzene rings form a dihedral angle of 20.6 (1)°. The water molecules of crystallization are involved in the formation of a three-dimensional hydrogen-bonding network via O—H⋯O and N—H⋯O hydrogen bonds.
doi:10.1107/S1600536811042681
PMCID: PMC3247416  PMID: 22220034
25.  1-(2-Chloro­benzyl­idene)-2-(2,4-dinitro­phen­yl)hydrazine 
In the title compound, C13H9ClN4O4, there are two crystallographically independent mol­ecules in the asymmetric unit, which have very similar conformations. The C=N—N angles in each independent mol­ecule are 115.0 (2) and 116.6 (2)°, which are significantly smaller than the ideal value of 120° expected for sp 2-hybridized N atoms. This is probably a consequence of repulsion between the nitro­gen lone pairs and the adjacent N—N bonds. Two bifurcated intra­molecular N—H⋯O hydrogen bonds help to establish the mol­ecular conformation and consolidate the crystal packing.
doi:10.1107/S1600536808033357
PMCID: PMC2959777  PMID: 21580996

Results 1-25 (338818)