Ferrocene compounds : methyl 1 ´-aminoferrocene-1-carboxylate

Publikationstyp:
Zeitschriftenaufsatz
Metadaten:
Autoren
  • Christoph Förster
  • Daniel Siebler
  • Katja Heinze
Sammlungen
  • metadata
ISSN
0108-2701
Ausgabe der Veröffentlichung
9
Zeitschrift
Acta crystallographica : Section C, Structural Chemistry
Schlüsselwörter
  • 540 Chemie
  • 540 Chemistry and allied sciences
Sprache
eng
Paginierung
Seiten: 235 - 237
Datum der Veröffentlichung
2010
Herausgeber URL
http://dx.doi.org/10.1107/S0108270110025746
Datum der Datenerfassung
2020
Datum, an dem der Datensatz öffentlich gemacht wurde
2020
Zugang
Public
Titel
Ferrocene compounds : methyl 1 ´-aminoferrocene-1-carboxylate
Ausgabe der Zeitschrift
66

Datenquelle: METADATA.UB

Andere Metadatenquellen:
Autoren
  • Christoph Foerster
  • Daniel Siebler
  • Katja Heinze
Autoren-URL
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=fis-test-1&SrcAuth=WosAPI&KeyUT=WOS:000281635400004&DestLinkType=FullRecord&DestApp=WOS_CPL
DOI
10.1107/S0108270110025746
Externe Identifier
  • Clarivate Analytics Document Solution ID: 647RD
  • PubMed Identifier: 20814093
ISSN
2053-2296
Zeitschrift
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY
Paginierung
235 - 237
Datum der Veröffentlichung
2010
Status
Published
Titel
Ferrocene compounds: methyl 1′-aminoferrocene-1-carboxylate
Sub types
  • Article
Ausgabe der Zeitschrift
66

Datenquelle: Web of Science (Lite)

Autoren
  • Christoph Förster
  • Daniel Siebler
  • Katja Heinze
DOI
10.1107/s0108270110025746
ISSN
0108-2701
Ausgabe der Veröffentlichung
9
Zeitschrift
Acta Crystallographica Section C Crystal Structure Communications
Online publication date
2010
Paginierung
m235 - m237
Datum der Veröffentlichung
2010
Status
Published
Herausgeber
International Union of Crystallography (IUCr)
Herausgeber URL
http://dx.doi.org/10.1107/s0108270110025746
Datum der Datenerfassung
2022
Titel
Ferrocene compounds: methyl 1′-aminoferrocene-1-carboxylate
Ausgabe der Zeitschrift
66

Datenquelle: Crossref

Abstract
The title compund, [Fe(C(5)H(6)N)(C(7)H(7)O(2))], features one strong intermolecular hydrogen bond of the type N-H...O=C [N...O = 3.028 (2) A] between the amine group and the carbonyl group of a neighbouring molecule, and vice versa, to form a centrosymmetric dimer. Furthermore, the carbonyl group acts as a double H-atom acceptor in the formation of a second, weaker, hydrogen bond of the type C-H...O=C [C...O = 3.283 (2) A] with the methyl group of the ester group of a second neighbouring molecule at (x, -y - 1/2, z - 1/2). The methyl group also acts as a weak hydrogen-bond donor, symmetry-related to the latter described C-H...O=C interaction, to a third molecule at (x, -y - 1/2, z + 1/2) to form a two-dimensional network. The cyclopentadienyl rings of the ferrocene unit are parallel to each other within 0.33 (3) degrees and show an almost eclipsed 1,1'-conformation, with a relative twist angle of 9.32 (12) degrees . The ester group is twisted slightly [11.33 (8) degrees ] relative to the cylopentadienyl plane due to the above-mentioned intermolecular hydrogen bonds of the carbonyl group. The N atom shows pyramidal coordination geometry, with the sum of the X-N-Y angles being 340 (3) degrees .
Addresses
  • Institute of Inorganic and Analytical Chemistry, Johannes Gutenberg University of Mainz, Duesbergweg 10-14, 55128 Mainz, Germany.
Autoren
  • Christoph Förster
  • Daniel Siebler
  • Katja Heinze
DOI
10.1107/s0108270110025746
eISSN
1600-5759
Externe Identifier
  • PubMed Identifier: 20814093
Open access
false
ISSN
0108-2701
Ausgabe der Veröffentlichung
Pt 9
Zeitschrift
Acta crystallographica. Section C, Crystal structure communications
Schlüsselwörter
  • Ferrous Compounds
  • Carboxylic Acids
  • Molecular Conformation
  • Dimerization
  • Hydrogen Bonding
  • Models, Molecular
Sprache
eng
Medium
Print-Electronic
Online publication date
2010
Paginierung
m235 - m237
Datum der Veröffentlichung
2010
Status
Published
Datum der Datenerfassung
2010
Titel
Ferrocene compounds: methyl 1'-aminoferrocene-1-carboxylate.
Sub types
  • Journal Article
Ausgabe der Zeitschrift
66

Datenquelle: Europe PubMed Central

Abstract
The title compund, [Fe(C(5)H(6)N)(C(7)H(7)O(2))], features one strong intermolecular hydrogen bond of the type N-H...O=C [N...O = 3.028 (2) A] between the amine group and the carbonyl group of a neighbouring molecule, and vice versa, to form a centrosymmetric dimer. Furthermore, the carbonyl group acts as a double H-atom acceptor in the formation of a second, weaker, hydrogen bond of the type C-H...O=C [C...O = 3.283 (2) A] with the methyl group of the ester group of a second neighbouring molecule at (x, -y - 1/2, z - 1/2). The methyl group also acts as a weak hydrogen-bond donor, symmetry-related to the latter described C-H...O=C interaction, to a third molecule at (x, -y - 1/2, z + 1/2) to form a two-dimensional network. The cyclopentadienyl rings of the ferrocene unit are parallel to each other within 0.33 (3) degrees and show an almost eclipsed 1,1'-conformation, with a relative twist angle of 9.32 (12) degrees . The ester group is twisted slightly [11.33 (8) degrees ] relative to the cylopentadienyl plane due to the above-mentioned intermolecular hydrogen bonds of the carbonyl group. The N atom shows pyramidal coordination geometry, with the sum of the X-N-Y angles being 340 (3) degrees .
Date of acceptance
2010
Autoren
  • Christoph Förster
  • Daniel Siebler
  • Katja Heinze
Autoren-URL
https://www.ncbi.nlm.nih.gov/pubmed/20814093
DOI
10.1107/S0108270110025746
eISSN
1600-5759
Ausgabe der Veröffentlichung
Pt 9
Zeitschrift
Acta Crystallogr C
Schlüsselwörter
  • Carboxylic Acids
  • Dimerization
  • Ferrous Compounds
  • Hydrogen Bonding
  • Models, Molecular
  • Molecular Conformation
Sprache
eng
Country
United States
Paginierung
m235 - m237
PII
S0108270110025746
Datum der Veröffentlichung
2010
Status
Published
Datum, an dem der Datensatz öffentlich gemacht wurde
2010
Titel
Ferrocene compounds: methyl 1'-aminoferrocene-1-carboxylate.
Sub types
  • Journal Article
Ausgabe der Zeitschrift
66

Datenquelle: PubMed

Beziehungen:
Eigentum von

Werkzeuge