3-Ferrocenyl-2-(4-nitro-phen-yl)acrylonitrile.
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ABSTRACT:
SUBMITTER: Nyamori VO
PROVIDER: S-EPMC3200961 | biostudies-literature |
REPOSITORIES: biostudies-literature
Similar Datasets
Project description:In the title compound, [Fe(C5H5)(C20H13N2O2)], the substituted cyclo-penta-dienyl ring and quinoline system are approximately coplanar, making a dihedral angle of 5.18 (6)°, while the dihedral angle between the quinoline system and the benzene ring is 28.45 (8)°. There is high thermal motion in the free cyclo-penta-dienyl ring compared with the substituted cyclo-penta-dienyl ring. The conformation of the two cyclopentadienyl rings in the ferrocenyl moiety is eclipsed.
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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 ?-? 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.
| S-EPMC7405585 | biostudies-literature
Project description: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.
| S-EPMC2960933 | biostudies-literature
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.
| S-EPMC2959240 | biostudies-literature
Project description:In the title compound, C(11)H(9)NO(2), the mean planes formed by the phenyl and acryl group are almost orthogonal to each other, with a dihedral angle of 88.61?(7)°. The carbonitrile side chain is almost linear, the C-C-N angle being 179.54?(16)°. In the crystal, mol-ecules are linked by inter-molecular O-H?O inter-actions into infinite chains running parallel to the b axis.
| S-EPMC3213610 | biostudies-literature
Project description:In the structure of the title compound, [Fe(C(5)H(5))(C(14)H(10)N)], the unsubstituted cyclo-penta-diene (Cp) ring is disordered over two positions, with site-occupancy factors 0.76?(2) and 0.24?(2). The dihedral angles between the substituted Cp ring and the major and the minor components of the disordered ring are 0.9?(5) and 6(2)°, repectively. The plane of the acrylonitrile unit makes dihedral angles of 6.1?(18) and 6.5?(4)° with the substituted Cp ring and the phenyl ring planes, respectively.
| S-EPMC2961381 | biostudies-literature
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.
| S-EPMC2962112 | biostudies-literature
Project description:The title compound, C(13)H(9)N(3)O(5), prepared as a solid derivative of 3-nitro-analine via reaction with 4-nitro-benzoyl chloride, crystallizes in a chiral space group. The mol-ecule is non-planar with a dihedral angle of 26.1?(1)° between the two benzene rings. Both nitro groups are twisted slightly out of the plane of their corresponding benzene rings, making dihedral angles of 10.7?(4) and 13.5?(4)°. The mol-ecules are stacked along the a axis with benzene ring centroid-centroid distances of 3.8878?(6)?Å. In the crystal, inter-molecular benzene C-H?O inter-actions involving one nitro group and the carbonyl group link the mol-ecules, forming chains along [001]. An additional set of aromatic C-H?O inter-actions with the second nitro group form chains along [101], connecting adjacent chains to create layers perpendicular to the b axis.
| S-EPMC3201324 | biostudies-literature
Project description:In the title compound, C(20)H(18)N(2)O(3), the C=C bond of the acrylonitrile group that links the indole and the 3,4,5-trimeth-oxy-phenyl rings has Z geometry, with dihedral angles between the plane of the acrylonitrile unit and the planes of the benzene and indole ring systems of 21.96?(5) and 38.94?(7)°, respectively. The acrylonitrile group is planar (r.m.s. deviation from planarity = 0.037?Å). Mol-ecules are linked into head-to-tail chains that propagate along the b-axis direction by bifurcated N-H?O inter-molecular hydrogen bonds, which form an R(1) (2)(5) motif between the indole NH group and the two meth-oxy O atoms furthest from the nitrile group.
| S-EPMC3295500 | biostudies-literature
Project description:In the title compound, C(13)H(10)FN(3)O(3), the dihedral angle between the fluoro-phenyl and nitro-phenyl ring planes is 6.51?(9)°. The crystal structure features N-H?O hydrogen bonds.
| S-EPMC3393299 | biostudies-literature