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An ortho-rhom-bic polymorph of 1-[(ferrocen-yl)(hydr-oxy)meth-yl]-1,2-dicarba-closo-dodecaborane.

ABSTRACT: An ortho-rhom-bic polymorph of the title compound, [Fe(C(5)H(5))(C(8)H(17)B(10)O)] or C(13)H(22)B(10)FeO, is described here in addition to the known monoclinic polymorph [Crundwell et al. (1999 ?). Acta Cryst.C55, IUC9900087]. The asymmetric unit contains four independent mol-ecules with C(cage)-C(cage) distances of 1.636?(16)-1.700?(16)?Å, and with the methyl-hydr-oxy groups disordered over two positions in each mol-ecule [occupancy ratios 0.80?(2):0.20?(2), 0.59?(3):0.41?(3), 0.60?(2):0.40?(2) and 0.793?(17):0.207?(17)].

SUBMITTER: Chen H

PROVIDER: S-EPMC2980021 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

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An ortho-rhom-bic polymorph of 1-[(ferrocen-yl)(hydr-oxy)meth-yl]-1,2-dicarba-closo-dodecaborane.

Chen Hongwei H Miao Jinling J Zhu Peihua P Wang Daqi D Nie Yong Y

Acta crystallographica. Section E, Structure reports online 20091209 Pt 1

An ortho-rhom-bic polymorph of the title compound, [Fe(C(5)H(5))(C(8)H(17)B(10)O)] or C(13)H(22)B(10)FeO, is described here in addition to the known monoclinic polymorph [Crundwell et al. (1999 ▶). Acta Cryst.C55, IUC9900087]. The asymmetric unit contains four independent mol-ecules with C(cage)-C(cage) distances of 1.636 (16)-1.700 (16) Å, and with the methyl-hydr-oxy groups disordered over two positions in each mol-ecule [occupancy ratios 0.80 (2):0.20 (2), 0.59 (3):0.41 (3), 0.60 (2):0.40 (2) ...[more]

PMID: 21579923

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