The structure of 1,4-(1,1'-ferrocenediyl)butan-1-one ([4]-ferrocenophan-1-one)

Cameron, T. Stanley; Cordes, Ruth E.

doi:10.1107/s0567740879004659

Cited by 49 publications

(21 citation statements)

References 3 publications

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“…Similar differences were observed in acyl-substituted ferrocenes (Cameron & Cordes, 1979;Barnes, Bell, Glidewell & Howie, 1990), as well as in the structure of 1-ferrocenyl-3-hYodroxy-2-buten-l-one, where a difference of 0.027 (8) A between the average C---C bond distances under discussion was observed (Bell, Crayston, Glidewell, Mazid & Hursthouse, 1992). The average C~---------C double-bond distance in A and B [1.354 (6)A] is in good agreement with the range of 1.343(4)-1.392 (3)A (Jones, 1976;Tonnesen, Karlsen & Mostad, 1982) observed for C==C double bonds in compounds of similar structure such as enolized asymmetric 1,3-diketones.…”

Section: @ @ (I)supporting

confidence: 68%

(E)-1,3-Diferrocenyl-2-buten-1-one–Water (4/1)

Erasmus¹,

Lamprecht²,

Swarts³

et al. 1996

Acta Crystallogr C

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The title compound, #-[(E)-1,3-di-r/5-cyclopentadienyl-2-buten-1-one]bis(r/5-cyclopentadienyliron)-water (4/1), [Fe2(CsHs)2(C]aH120)].0.25H20, has two independent [Fe2(CsHs)2(C]aHI20)] molecules in the asymmetric unit. Pairs of one of these molecules form dimers linked by hydrogen bonds via a water molecule occupying either of two sites related by a centre of symmetry. CommentThe formation of the title compound, (I), is assumed to result from the self-condensation of acetylferrocene due to incomplete enolate formation, a consequence of the high reactivity of the enolate moiety of acetylferrocene towards electrophilic centres. The final product is obtained via elimination of a proton, catalyzed by the addition of dilute HC1 during the work-up procedure.

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Section: @ @ (I)supporting

confidence: 68%

(E)-1,3-Diferrocenyl-2-buten-1-one–Water (4/1)

Erasmus¹,

Lamprecht²,

Swarts³

et al. 1996

Acta Crystallogr C

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“…The data were reduced by normal procedures which are described in detail in Cameron & Cordes (1979); neither absorption nor extinction corrections were applied.…”

Section: Methodsmentioning

confidence: 99%

Structures of inorganic rings as antitumor agents. II. Structure of the benzene clathrate of 2,2,4,4,6,6-hexa(1-aziridinyl)cyclotri(phosphazene), N₃P₃az₆

Cameron¹,

Labarre²,

Graffeuil³

1982

Acta Crystallogr Sect B

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Abstract2CI2H24N9P3. C6H6, M r = 852.71, is rhombohedral, space group R3, with a = 10.266(1)A, (t-79.21 (1) °, Z = 1, D e = 1.374 Mg m -3, 2(Mo Kal) = 0.70926 A,/1 = 0.260 mm -I, T = 288 + 0.05 K. The structure was solved by the heavy-atom method. R = 0.026 for 1206 independent reflections. The two cyclotri(phosphazene) molecules are related by the symmetry centre, the benzene is at the centre, and all three molecules lie on the crystallographic C 3 axis; in the cyclotri(phosphazene), the geminal aziridinyl groups adopt an unusual eis conformation.

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“…Thc intensities wcrc rcduccd by routine proccclurcs (55). Lorcntz and polarization corrections wcrc applied but no absorption or extinction corrcctions.…”

Section: Str~rcrirre ~Lerer~rr~ir~crtior~mentioning

confidence: 99%

Alkylammonium hexachlorostannates(IV), (R_nNH_4−n)₂SnCl₆: crystal structure, infrared spectrum, and hydrogen bonding

Knop¹,

Cameron²,

James³

et al. 1983

Can. J. Chem.

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In an effort to advance our understanding of the principles governing the structures of and the hydrogen bonding in alkylammonium hexachlorostannates(IV), (RnNH4−n)2SnCl6, we have determined the room-temperature crystal structures of (Me2NH2)2SnCl6 and (Me3NH)2SnCl6 (variants of the antifluorite structure); (EtNH3)2SnCl6 and (n-PrNH3)2SnCl6 (anti-Cdl2 type, with orientational disorder in the Et compound); and (n-Pr3NH)2SnCl6. We have also studied the infrared spectra in the regions of the NH and ND stretching fundamentals, between 10 and 293 K, of these five compounds and of (MeNH3)2SnCl6, (Me3NH)2SnBr6, (Et2NH2)2SnCl6, (n-Bu3NH)2SnCl6 and, in less detail, the mixed-anion salt (n-Pr2NH2)3(SnCl6)Cl. The spectra are often complicated by Ferim resonance involving absorptions diagnostically critical for the strength and type of [Formula: see text] bonding and for the site symmetry at the N atom. In this respect they are less useful than the corresponding spectra of the unsubstituted ammonium compounds reported previously. Several of the spectra provide striking examples of temperature-tuned Fermi resonance of NH and ND vibrations. The [Formula: see text] bonds are invariably trifurcated, bifurcated, or at least highly bent; these characteristics give rise to anomalous temperature dependence of the frequencies of the NH and ND stretching fundamentals. Temperature-induced transitions were detected in (Me2NH2)2SnCl6 (Ttr ~ 100 K), Et NH3)2SnCl6 (Ttr ~ 125 K), and (Et2NH2)2SnCl6 (Ttr ~ 330 K). The specific results for the ten compounds studied arc discussed in detail. The discussion also includes the limits of usefulness of the isotopisc dilution technique; symmetry aspects of the cation–anion packing in alkylammonium hexahalometallates(IV); symmetries of the arrangements of the SnCl6 octahedra; the geometry of hydrogen bonding in (RnNH4−n)2SnCl6; and the possibility of detection of the presence of hydrogen bonding from molecular volume trends.

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The structure of 1,4-(1,1'-ferrocenediyl)butan-1-one ([4]-ferrocenophan-1-one)

Cited by 49 publications

References 3 publications

(E)-1,3-Diferrocenyl-2-buten-1-one–Water (4/1)

(E)-1,3-Diferrocenyl-2-buten-1-one–Water (4/1)

Structures of inorganic rings as antitumor agents. II. Structure of the benzene clathrate of 2,2,4,4,6,6-hexa(1-aziridinyl)cyclotri(phosphazene), N₃P₃az₆

Alkylammonium hexachlorostannates(IV), (R_nNH_4−n)₂SnCl₆: crystal structure, infrared spectrum, and hydrogen bonding

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The structure of 1,4-(1,1'-ferrocenediyl)butan-1-one ([4]-ferrocenophan-1-one)

Cited by 49 publications

References 3 publications

(E)-1,3-Diferrocenyl-2-buten-1-one–Water (4/1)

(E)-1,3-Diferrocenyl-2-buten-1-one–Water (4/1)

Structures of inorganic rings as antitumor agents. II. Structure of the benzene clathrate of 2,2,4,4,6,6-hexa(1-aziridinyl)cyclotri(phosphazene), N3P3az6

Alkylammonium hexachlorostannates(IV), (RnNH4−n)2SnCl6: crystal structure, infrared spectrum, and hydrogen bonding

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Structures of inorganic rings as antitumor agents. II. Structure of the benzene clathrate of 2,2,4,4,6,6-hexa(1-aziridinyl)cyclotri(phosphazene), N₃P₃az₆

Alkylammonium hexachlorostannates(IV), (R_nNH_4−n)₂SnCl₆: crystal structure, infrared spectrum, and hydrogen bonding