Acta Crystallographica Section C

Crystal Structure Communications

Volume 65, Part 3 (March 2009)

metal-organic compounds

tr3052 scheme

Acta Cryst. (2009). C65, m131-m134 [ doi:10.1107/S0108270109001851 ]

<!?tlsb=-0.06pt>Bromido(⁵-carboxycyclopentadienyl)dinitrosylchromium(0) and (⁵-benzoylcyclopentadienyl)bromidodinitrosylchromium(0)

Y.-P. Wang, H.-L. Leu, T.-S. Lin, Y. Wang and G.-H. Lee

Abstract: In the structures of each of the title compounds, [CrBr(C₆H₅O₂)(NO)₂], (I), and [CrBr(C₁₂H₉O)(NO)₂], (II), one of the nitrosyl groups is located at a site away from the exocyclic carbonyl C atom of the cyclopentadienyl (Cp) ring, with twist angles of 174.5 (3) and 172.5 (1)°. The observed orientation is surprising, since the NO group is expected to be situated trans to an electron-rich C atom in the ring. The organic carbonyl plane is turned away from the Cp ring plane by 5.6 (8) and 15.2 (3)°in (I) and (II), respectively. The exocyclic C-C bond in (I) is bent out of the Cp ring plane towards the Cr atom by 2.8 (3)°, but is coplanar with the Cp ring in (II); the angle is 0.1 (1)°.

Formula: [CrBr(C₆H₅O₂)(NO)₂] and [CrBr(C₁₂H₉O)(NO)₂]


	Structure factor file (CIF format) (106.6 kbytes) [ doi:10.1107/S0108270109001851/tr3052Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (144.9 kbytes) [ doi:10.1107/S0108270109001851/tr3052IIsup3.hkl ] Contains datablock II

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