caa a22 4500 463184033 CHVBK 20180406164847.0 cr unu---uuuuu 170326e20070101xx s 000 0 eng 10.1007/s10870-006-9144-y doi (NATIONALLICENCE)springer-10.1007/s10870-006-9144-y 1-[Ferrocenyl(hydroxy)methyl]-1,7-dicarba -closo -dodecaborane: Synthesis and X-ray crystal structure [Elektronische Daten] [Jerry Fields, Xiang Ouyang, Steven Herron, Katherine Kantardjieff, Ali Jabalameli, Frank Gomez] The synthesis and molecular structure of the novel 1-[ferrocenyl(hydroxy)methyl]-1,7-dicarba-closo-dodecaborane (1) is described. Compound 1 was synthesized from reaction of m-carborane and ferrocene carboxaldehyde using n-butyllithium (n-BuLi) or tetrabutylammonium fluoride (TBAF) in THF in 45% and 36% yield, respectively. Compound 1 consists of a ferrocene molecule tethered to m-carborane through a methylhydroxy bridge. The crystal structure of 1 was determined by single crystal X-ray diffraction analysis. Crystal data: 1 [Fe(C5H5)(C5H4-CH2O-1,7-C2B10H12)], formula weight = 359.17, crystallized in orthorhombic system, space group Pna2 1 with a=19.698(4) Å, b=10.709(2)Å, c=8.520(2)Å, and V=1797.3(7)Å3 and Z=4. Refined to R 1=0.043 for 4124 observed reflections with I/σ>2σ(I). The compound was crystallized as racemic twins in a ratio of 73(2)/27(2). The unsubstituted Cp ring was disordered and modeled as two conformations in a 53(3)/47(3) ratio. Intermolecular hydrogen bonding was observed from the hydrogen of the meta-carbon on the carborane cluster towards the hydroxyl oxygen. Springer Science+Business Media, LLC, 2006 Ferrocene nationallicence carborane nationallicence meta-carborane nationallicence nucleophilic substitution nationallicence crystal structure nationallicence Fields Jerry Department of Chemistry and Biochemistry, California State University, Los Angeles, 5151, State University Drive, 90032-8202, Los Angeles, CA, USA aut Ouyang Xiang Department of Chemistry and Biochemistry, California State University, Fullerton, 800, N. State College Boulevard, 92834-6866, Fullerton, CA, USA aut Herron Steven Department of Chemistry and Biochemistry, Brigham Young University, 84602, Provo, UT, USA aut Kantardjieff Katherine Department of Chemistry and Biochemistry, California State University, Fullerton, 800, N. State College Boulevard, 92834-6866, Fullerton, CA, USA aut Jabalameli Ali Department of Chemistry and Biochemistry, California State University, Los Angeles, 5151, State University Drive, 90032-8202, Los Angeles, CA, USA aut Gomez Frank Department of Chemistry and Biochemistry, California State University, Los Angeles, 5151, State University Drive, 90032-8202, Los Angeles, CA, USA aut Journal of Chemical Crystallography Kluwer Academic Publishers-Plenum Publishers; http://www.springer-ny.com 37/1(2007-01-01), 55-62 1074-1542 37:1<55 2007 37 10870 https://doi.org/10.1007/s10870-006-9144-y text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10870-006-9144-y text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Fields Jerry Department of Chemistry and Biochemistry, California State University, Los Angeles, 5151, State University Drive, 90032-8202, Los Angeles, CA, USA aut NATIONALLICENCE 700 1- Ouyang Xiang Department of Chemistry and Biochemistry, California State University, Fullerton, 800, N. State College Boulevard, 92834-6866, Fullerton, CA, USA aut NATIONALLICENCE 700 1- Herron Steven Department of Chemistry and Biochemistry, Brigham Young University, 84602, Provo, UT, USA aut NATIONALLICENCE 700 1- Kantardjieff Katherine Department of Chemistry and Biochemistry, California State University, Fullerton, 800, N. State College Boulevard, 92834-6866, Fullerton, CA, USA aut NATIONALLICENCE 700 1- Jabalameli Ali Department of Chemistry and Biochemistry, California State University, Los Angeles, 5151, State University Drive, 90032-8202, Los Angeles, CA, USA aut NATIONALLICENCE 700 1- Gomez Frank Department of Chemistry and Biochemistry, California State University, Los Angeles, 5151, State University Drive, 90032-8202, Los Angeles, CA, USA aut NATIONALLICENCE 773 0- Journal of Chemical Crystallography Kluwer Academic Publishers-Plenum Publishers; http://www.springer-ny.com 37/1(2007-01-01), 55-62 1074-1542 37:1<55 2007 37 10870 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer