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(E)-N'-(2-Hydroxy-benzyl-idene)-2-(4-isobutyl-phen-yl)propanohydrazide.

ABSTRACT: The title hydrazide compound, C(20)H(24)N(2)O(2), exists in a trans configuration with respect to the acyclic C=N bond and an intra-molecular 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, inter-molecular N-H?O and C-H?O hydrogen bonds link neighbouring mol-ecules into extended chains along the c axis, which incorporate R(2) (2)(16) ring motifs. An inter-molecular C-H?? inter-action is also observed.

PROVIDER: S-EPMC2980184 | BioStudies |

REPOSITORIES: biostudies

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2-(2-Fluoro-biphenyl-4-yl)-N'-(propan-2-yl-idene)propanohydrazide.

Project description:In the title compound, C(18)H(19)FN(2)O, the hydrazide side chain is approximately perpendicular to the central ring [dihedral angle = 76.80?(5)°]. The F atom is disordered over two positions with occupancies of 0.818?(2) and 0.182?(2). The packing consists of chains of mol-ecules parallel to the a axis, connected by a bifurcated N-H?(O,N) hydrogen bond and a weak C(phen-yl)-H?O hydrogen bond. The packing is extended to a layer structure parallel to the ab plane by a weak C(phen-yl)-H?F hydrogen bond.

2010-01-01 | S-EPMC2983908 | BioStudies

N'-[(E)-4-Bromo-benzyl-idene]-2-(4-isobutyl-phen-yl)propanohydrazide.

Project description:The asymmetric unit of the title compound, C(20)H(23)BrN(2)O, contains two independent mol-ecules (A and B), in which the orientations of the 4-isobutyl-phenyl units are different. The dihedral angle between the two benzene rings is 88.45?(8)° in mol-ecule A and 89.87?(8)° in mol-ecule B. Mol-ecules A and B are linked by a C-H?N hydrogen bond. In the crystal, mol-ecules are linked into chains running along the a axis by inter-molcular N-H?O and C-H?O hydrogen bonds. The crystal structure is further stabilized by C-H?? inter-actions. The presence of pseudosymmetry in the structure suggests the higher symmetry space group Pbca. However, attempts to refine the structure in this space group resulted in a disorder model with high R (0.097) and wR (0.257) values. The crystal studied was an inversion twin with a 0.595?(4):0.405?(4) domain ratio.

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N'-[1-(2,4-Dioxo-3,4-dihydro-2H-1-benzopyran-3-yl-idene)eth-yl]thiophene-2-carbo-hydrazide.

Project description:The title compound, C(16)H(12)N(2)O(4)S, was obtained by the condensation of 3-acetyl-4-hy-droxy-coumarin with thien-2-ylcarbonyl hydrazide. The pyran ring adopts a 2,4-dione tautomeric form. The benzopyran ring system is almost coplanar with the thio-phene ring [dihedral angle 0.9?(2)°]. The exocyclic C=C double bond has an E geometry. The mol-ecular conformation is stabilized by an intra-molecular N-H?O hydrogen bond. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains along the a axis.

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(E)-N'-(2,4,6-Trimethyl-benzyl-idene)isonicotinohydrazide.

Project description:The title isoniazid derivative, C(16)H(17)N(3)O, exists in an E configuration with respect to the Schiff base C=N bond. The pyridine ring is essentially planar [maximum deviation = 0.009?(3)?Å]. The mean plane through the hydrazide unit forms dihedral angles of 38.38?(16) and 39.42?(16)°, respectively, with the pyridine and benzene rings. In the crystal structure, symmetry-related mol-ecules are linked via inter-molecular N-H?O hydrogen bonds into chains along [100]. The crystal structure is further stabilized by weak inter-molecular C-H?? inter-actions.

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N'-[(E)-4-Chloro-benzyl-idene]-2-(4-isobutyl-phen-yl)propanohydrazide.

Project description:The asymmetric unit of title compound, C(20)H(23)ClN(2)O, consists of two crystallographically independent mol-ecules (A and B) in which the orientations of the 4-isobutyl-phenyl units are different. The isobutyl group of mol-ecule B is disordered over two positions with occupancies of 0.850?(5) and 0.150?(5). The dihedral angle between the two benzene rings is 88.70?(9)° in mol-ecule A and 89.38?(9)° in mol-ecule B. The independent mol-ecules are linked together into chains along [100] by N-H?O and C-H?O hydrogen bonds, and by C-H?? inter-actions. In the chain, N-H?O and C-H?O hydrogen bonds generate R(2) (1)(6) ring motifs. In addition, C-H?N hydrogen bonds are observed. The presence of pseudosymmetry in the structure suggests the higher symmetry space group Pbca but attempts to refine the structure in this space group resulted in high R (0.119) and wR (0.296) values.

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3-Hydr-oxy-N'-(2-methoxy-benzyl-idene)-2-naphthohydrazide.

Project description:In the title Schiff base compound, C(19)H(16)N(2)O(3), the dihedral angle between the mean planes of the benzene ring and the naphthyl ring system is 0.8?(2)°. The mean plane of the hydrazide group forms dihedral angles of 2.0?(2) and 2.2?(2)°, respectively, with the mean planes of the benzene ring and the naphthyl ring system. A strong intra-molecular N-H?O hydrogen bond is present. In the crystal, inter-molecular O-H?O hydrogen bonds form chains along the c axis and help to provide stability in the crystal packing.

2009-01-01 | S-EPMC2971856 | BioStudies

2-(4-Isobutyl-phen-yl)-N'-[1-(4-nitro-phen-yl)ethyl-idene]propanohydrazide.

Project description:The mol-ecule of the title compound, C(21)H(25)N(3)O(3), exists in a trans configuration with respect to the ethyl-idene unit. The dihedral angle between the two substituted benzene rings is 86.99?(7)°. The nitro group is twisted from the attached benzene ring at an angle of 17.02?(7)°. In the crystal structure, mol-ecules are linked by pairs of N-H?O hydrogen bonds in a face-to-face manner into centrosymmetric dimers. These dimer units are further linked into chains along the c axis by weak C-H?O inter-actions. These chains are stacked along the b axis. The crystal is further stabilized by weak C-H?? inter-actions.

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N'-[(Z)-4-(Dimethyl-amino)benzyl-idene]-4-nitro-benzohydrazide mono-hydrate.

Project description:In the asymmetric unit of the title compound, C(16)H(16)N(4)O(3)·H(2)O, there are two symmetry-independent hydrazide mol-ecules with almost identical geometries, and two independent water mol-ecules. The dihedral angles between the two benzene rings in the two hydrazide mol-ecules are 0.11?(5) and 0.77?(5)°. In one mol-ecule, an intra-molecular C-H?O hydrogen bond generates a ring of graph-set motif S(5). Inter-molecular N-H?O, O-H?O, O-H?N and C-H?O hydrogen bonds and ?-? stacking inter-actions between the benzene rings [centroid-centroid distances in the range 3.5021?(6)-3.6403?(6)?Å] are observed, together with O?O [2.7226?(11)?Å], O?N [2.7072?(10)?Å] and N?O [2.7072?(10)-2.8582?(12)?Å] short contacts. The hydrazine mol-ecules are stacked along the b axis and adjacent mol-ecules are linked by water mol-ecules.

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5-Isobutyl-4-phenyl-sulfonyl-1H-pyrazol-3(2H)-one.

Project description:The title compound, C(13)H(16)N(2)O(3)S, consists of two crystallographically independent mol-ecules with similar geometries and exists in a keto form, the C=O bond lengths being 1.267?(2) and 1.254?(2)?Å. In both mol-ecules, the pyrazole rings are approximately planar, with maximum deviations of 0.017?(2) and 0.010?(2)?Å, and the dihedral angles between the pyrazole and phenyl rings are 83.63?(11) and 70.07?(12)°. In one mol-ecule, an intra-molecular C-H?O hydrogen bond with an S(6) ring motif is observed. In the crystal, inter-molecular N-H?O and C-H?O hydrogen bonds link the mol-ecules into two-dimensional networks parallel to the ab plane.

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1-Isobutyl-N,N-dimethyl-1H-imidazo[4,5-c]quinolin-4-amine.

Project description:In the title compound, C(16)H(20)N(4), the 1H-imidazo[4,5-c]quinoline ring system is approximately planar, with a maximum deviation of 0.0719?(15)?Å. An intra-molecular C-H?N hydrogen bond contributes to the stabilization of the mol-ecule, forming an S(6) ring motif. In the crystal, the mol-ecules are stacked along the b axis through weak aromatic ?-? inter-actions between benzene and imidazole and benzene and pyridine rings [centroid-centroid distances = 3.6055?(10) and 3.5342?(10)?Å, respectively].

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