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1-Acetyl-3-ferrocenyl-5-(2-nitro-phen-yl)-2-pyrazoline.

ABSTRACT: In the title compound, [Fe(C(5)H(5))(C(16)H(14)N(3)O(3))], the pyrazoline ring and the substituted cyclo-penta-dienyl ring are nearly coplanar, with a dihedral angle of 8.17 (2)°, while the nitro-substituted benzene ring is twisted out of the pyrazoline ring plane by 70.76 (1)°. The mol-ecules in the crystal structure are held together by three inter-molecular C-H⋯O hydrogen bonds. There is also an intra-molecular C-H⋯N hydrogen bond. The H atoms of the methyl group are disordered equally over two positions.

SUBMITTER: Turgut Cin G

PROVIDER: S-EPMC2960933 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3-Ferrocenyl-2-(4-nitro-phen-yl)acrylonitrile.

Project description:In the title compound, [Fe(C(5)H(5))(C(14)H(9)N(2)O(2))], the ferrocenyl rings exhibit an eclipsed conformation with a staggering angle of 15.9°, which is quite large compared to similar compounds.

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2-Ferrocenyl-6-(3-nitro-phen-yl)quinoline.

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1-Acetyl-3-(4-chloro-phen-yl)-5-(4-fluoro-phen-yl)-2-pyrazoline.

Project description:In the title mol-ecule, C(17)H(14)ClFN(2)O, the mean plane of the pyrazoline ring makes dihedral angles of 18.19 (1) and 83.51 (4)° with the 4-chloro-benzene and 4-fluoro-benzene rings, respectively. The two benzene rings make a dihedral angle of 76.11 (2)°. Weak inter-molecular C-H⋯O hydrogen bonds help stabilize the crystal structure.

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1-Acetyl-5-ferrocenyl-3-phenyl-2-pyrazoline.

Project description:In the title compound, [Fe(C(5)H(5))(C(16)H(15)N(2)O)], the pyrazoline ring and the phenyl ring are nearly coplanar, making a dihedral angle of 6.54?(2)°, while the substituted cyclo-penta-dienyl ring is twisted out of the pyrazoline ring plane by 81.32?(1)°. The mol-ecules in the crystal structure are held together by weak C-H?O inter-molecular hydrogen bonds and two C-H?? inter-actions.

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Benzyl 5-ferrocenyl-3-(4-methyl-phen-yl)-2-pyrazoline-1-dithio-carboxyl-ate.

Project description:In the title compound, [Fe(C(5)H(5))(C(23)H(21)N(2)S(2))], the cyclo-penta-dienyl rings of the ferrocenyl unit deviate slightly from the eclipsed form. In the pyrazoline ring, the N atom bonded to S-benzyl dithio-carbazate exhibits unconventional sp(2)-hybrid character in order to form an extended conjugated system. The pyrazoline ring displays an envelope conformation. The mol-ecules are linked into chains along the b axis via C-H⋯S inter-molecular hydrogen bonds.

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Crystal structure of 1-ferrocenyl-2-(4-nitro-phen-yl)ethyne.

Project description:The title ferrocene derivative, [Fe(C5H5)2(C8NO2)], including an alkyne bonded to a para-nitro-phenyl substituent, which was synthesized from a copper-free Sonogashira cross-coupling reaction between ethynylferrocene and 4-bromo-1-nitro-benzene, crystallizes in the P21/n space group. In the ferrocene unit, the penta-dienyl (Cps) rings are in an eclipsed conformation. The angle of rotation between the substituted cyclo-penta-dienyl ring and the p-nitro-phenyl group is 6.19 (10)°, yielding a quasi-linear extension of the ferrocenyl substitution. Important inter-molecular inter-actions arise from π-π stacking between the Cp rings and the p-nitro-phenyl, from corners of the Cp rings that are perpendicularly aligned, and between the O atoms from the nitro substituent and carbons at the corners of the Cp rings, propagating along all three crystallographic axes.

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(E)-1-Ferrocenyl-3-(3-nitro-phen-yl)prop-2-en-1-one.

Project description:In the title compound, [Fe(C(5)H(5))(C(14)H(10)NO(3))], one cyclo-penta-diene ring is substituted and one is unsubstituted. The two rings are almost parallel and are eclipsed and ordered. The conjugated substituent is slightly twisted with respect to the cyclo-penta-diene ring. The crystal structure contains four inter-molecular C-H?O hydrogen-bonds in the range 3.324?(3)-3.539?(3)?Å and one ?(aryl ring)-? (Cp ring) stacking inter-action with a ring-centroid distance of 3.894?(2)?Å.

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Diethyl 4-acetyl-5-(2-nitro-phen-yl)pyrrolidine-2,2-dicarboxyl-ate.

Project description:The title compound, C(18)H(22)N(2)O(7), was synthesized by the 1,3-dipolar cyclo-addition reaction of but-3-en-2-one, diethyl 2-amino-malonate and 2-nitro-benzaldehyde. In the mol-ecule, the pyrrolidine ring possesses an envelope conformation. Inter-molecular N-H⋯O and C-H⋯O hydrogen bonds are present in the crystal structure.

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(Z)-1-(3-Nitro-phen-yl)-2-(4-nitro-phen-yl)ethene.

Project description:In the mol-ecule of the title compound, C(14)H(10)N(2)O(4), the dihedral angle formed by the benzene rings is 53.66 (5)°. In the crystal structure, mol-ecules are linked into chains parallel to the [01] direction by inter-molecular C-H⋯O hydrogen-bonding inter-actions.

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Diethyl 1-acetyl-4'-(4-chloro-phen-yl)-5'-(4-nitro-phen-yl)-2-oxospiro-[indoline-3,3'-pyrrolidine]-2',2'-dicarboxyl-ate.

Project description:In the title compound, C(31)H(28)ClN(3)O(8), the pyrrolidine ring exhibits an envelope conformation, with the spiro C atom located at the flap position. A spiro junction links the oxindole ring system and the pyrrolidine ring. The planar oxindole ring system is twisted with respect to the nitro-benzene and chloro-benzene rings, with dihedral angles of 62.34?(11) and 75.93?(9)°, respectively. In the crystal, a weak C-H?O interaction links the molecules into chains and two intramolecular C-H?O close contacts are seen.

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