Crystal structure of ruthenocenecarbonitrile

Frank Strehler, Marcus Korb, Heinrich Lang

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

The molecular structure of ruthenocenecarbonitrile, [Ru(eta(5)-C5H4C equivalent to N)(eta(5)-C5H5)], exhibits point group symmetry m, with the mirror plane bisecting the molecule through the C equivalent to N substituent. The Ru-II atom is slightly shifted from the eta(5)-C5H4 centroid towards the C equivalent to N substituent. In the crystal, molecules are arranged in columns parallel to [100]. One-dimensional intermolecular pi-pi interactions [3.363 (3) angstrom] between the C equivalent to N carbon atom and one carbon of the cyclopentadienyl ring of the overlaying molecule are present.

Original languageEnglish
Pages (from-to)398-+
Number of pages8
JournalActa Crystallographica. Section E: Structure Reports Online
Volume71
DOIs
Publication statusPublished - Apr 2015
Externally publishedYes

Cite this

@article{7d697f5f928d4915b19b4ded188ccb68,
title = "Crystal structure of ruthenocenecarbonitrile",
abstract = "The molecular structure of ruthenocenecarbonitrile, [Ru(eta(5)-C5H4C equivalent to N)(eta(5)-C5H5)], exhibits point group symmetry m, with the mirror plane bisecting the molecule through the C equivalent to N substituent. The Ru-II atom is slightly shifted from the eta(5)-C5H4 centroid towards the C equivalent to N substituent. In the crystal, molecules are arranged in columns parallel to [100]. One-dimensional intermolecular pi-pi interactions [3.363 (3) angstrom] between the C equivalent to N carbon atom and one carbon of the cyclopentadienyl ring of the overlaying molecule are present.",
keywords = "crystal structure, ruthenocene, ruthenocenecarbonitrile, sandwich compound, nitrile, TRANSITION-METAL-COMPLEXES, 2-ELECTRON OXIDATION, REACTION CHEMISTRY, ELECTRON-TRANSFER, RUTHENOCENE, FERROCENES, CYANOFERROCENE, DERIVATIVES, BEHAVIOR, PACKING",
author = "Frank Strehler and Marcus Korb and Heinrich Lang",
year = "2015",
month = "4",
doi = "10.1107/S205698901500540X",
language = "English",
volume = "71",
pages = "398--+",
journal = "Acta Crystallographica. Section E: Structure Reports Online",
issn = "1600-5368",
publisher = "INT UNION CRYSTALLOGRAPHY",

}

Crystal structure of ruthenocenecarbonitrile. / Strehler, Frank; Korb, Marcus; Lang, Heinrich.

In: Acta Crystallographica. Section E: Structure Reports Online, Vol. 71, 04.2015, p. 398-+.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Crystal structure of ruthenocenecarbonitrile

AU - Strehler, Frank

AU - Korb, Marcus

AU - Lang, Heinrich

PY - 2015/4

Y1 - 2015/4

N2 - The molecular structure of ruthenocenecarbonitrile, [Ru(eta(5)-C5H4C equivalent to N)(eta(5)-C5H5)], exhibits point group symmetry m, with the mirror plane bisecting the molecule through the C equivalent to N substituent. The Ru-II atom is slightly shifted from the eta(5)-C5H4 centroid towards the C equivalent to N substituent. In the crystal, molecules are arranged in columns parallel to [100]. One-dimensional intermolecular pi-pi interactions [3.363 (3) angstrom] between the C equivalent to N carbon atom and one carbon of the cyclopentadienyl ring of the overlaying molecule are present.

AB - The molecular structure of ruthenocenecarbonitrile, [Ru(eta(5)-C5H4C equivalent to N)(eta(5)-C5H5)], exhibits point group symmetry m, with the mirror plane bisecting the molecule through the C equivalent to N substituent. The Ru-II atom is slightly shifted from the eta(5)-C5H4 centroid towards the C equivalent to N substituent. In the crystal, molecules are arranged in columns parallel to [100]. One-dimensional intermolecular pi-pi interactions [3.363 (3) angstrom] between the C equivalent to N carbon atom and one carbon of the cyclopentadienyl ring of the overlaying molecule are present.

KW - crystal structure

KW - ruthenocene

KW - ruthenocenecarbonitrile

KW - sandwich compound

KW - nitrile

KW - TRANSITION-METAL-COMPLEXES

KW - 2-ELECTRON OXIDATION

KW - REACTION CHEMISTRY

KW - ELECTRON-TRANSFER

KW - RUTHENOCENE

KW - FERROCENES

KW - CYANOFERROCENE

KW - DERIVATIVES

KW - BEHAVIOR

KW - PACKING

U2 - 10.1107/S205698901500540X

DO - 10.1107/S205698901500540X

M3 - Article

VL - 71

SP - 398-+

JO - Acta Crystallographica. Section E: Structure Reports Online

JF - Acta Crystallographica. Section E: Structure Reports Online

SN - 1600-5368

ER -