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Crystal structure of bis-{(S)-1-[2-(di-phenyl-phosphan-yl)ferrocen-yl]-(R)-eth-yl}ammonium bromide di-chloro-methane monosolvate.

ABSTRACT: During the synthesis of an FeBr2 complex with the PNP ligand (R,R,SFc,SFc)-[Fe2(C5H5)2(C38H35NP2)] (1), single crystals of the di-chloro-methane monosolvate of the Br- salt of the protonated ligand 1H+ were obtained serendipitously, i.e. [Fe2(C5H5)2(C38H36NP2)]Br·CH2Cl2. The crystal structure of 1H·Br·CH2Cl2 was determined by single-crystal X-ray diffraction. The mean bond lengths in the ferrocene units are Fe-C = 2.049?(3)?Å and C-C = 1.422?(4)?Å within the cyclo-penta-dienyl rings. The mean C-N bond length is 1.523?(4)?Å. The inter-planar angle between the two connected cyclo-penta-dienyl rings is 49.2?(2)°. One ferrocene moiety adopts a staggered conformation, whereas the other is between staggered and eclipsed. The Br- ions and the CH2Cl2 mol-ecules are located in channels extending along <100>. One ammonium H atom forms a hydrogen bond with the Br- ion [H?Br = 2.32?(4)?Å and C-H?Br = 172?(3)°]. The second ammonium H atom is not involved in hydrogen bonding.

SUBMITTER: Zirakzadeh A 

PROVIDER: S-EPMC5290554 | biostudies-literature | 2017 Feb

REPOSITORIES: biostudies-literature

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Crystal structure of bis-{(<i>S</i>)-1-[2-(di-phenyl-phosphan-yl)ferrocen-yl]-(<i>R</i>)-eth-yl}ammonium bromide di-chloro-methane monosolvate.

Zirakzadeh Afrooz A   Stöger Berthold B   Kirchner Karl K  

Acta crystallographica. Section E, Crystallographic communications 20170113 Pt 2

During the synthesis of an FeBr<sub>2</sub> complex with the PNP ligand (<i>R</i>,<i>R</i>,<i>S</i><sub>Fc</sub>,<i>S</i><sub>Fc</sub>)-[Fe<sub>2</sub>(C<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(C<sub>38</sub>H<sub>35</sub>NP<sub>2</sub>)] (<b>1</b>), single crystals of the di-chloro-methane monosolvate of the Br<sup>-</sup> salt of the protonated ligand <b>1</b>H<sup>+</sup> were obtained serendipitously, <i>i.e.</i> [Fe<sub>2</sub>(C<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(C<sub>38</sub>H<sub>36</s  ...[more]

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