TaC36H30NP2+ l BH3O3 Mr = 635.83 Triclinic, P1 ?a = ten.7720 (2) A ?b = 11.4243 (3) A ?c = 14.3507 (four) A = 107.244 (two) = 105.648 (2)= 93.2742 (19) ?V = 1605.99 (7) A3 Z=2 Mo K radiation = 0.26 mm? T = 150 K 0.18 ?0.14 ?0.ten mmThe title crystal structure is actually a new triclinic polymorph of [(Ph3P)2N]Cl?B(OH)three) or C36H30NP2+ l BH3O3. The crystal structure from the orthorhombic polymorph was reported by [Andrews et al. (1983). Acta Cryst. C39, 880?82]. Within the crystal, the [(Ph3P)2N]+ cations have no considerable contacts for the chloride ions nor towards the boric acid molecules. This really is indicated by the P–N–P angle of 137.28 (eight) , that is within the expected variety to get a free [(Ph3P)2N]+ cation. The boric acid molecules kind inversion dimers through pairs of O–H?? hydrogen bonds, and every boric acid molecule types two added O–H?? l hydrogen bonds to 1 chloride anion. These entities fill channels, designed by the [(Ph3P)2N]+ cations, along the c-axis path.Information collectionAgilent Xcalibur (Eos, Gemini ultra) diffractometer Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2013) Tmin = 0.256, Tmax = 1.000 14941 measured reflections 8731 independent reflections 6913 reflections with I two(I) Rint = 0.RefinementR[F 2 2(F two)] = 0.041 wR(F two) = 0.098 S = 1.04 8731 reflections 409 parameters H atoms treated by a mixture of independent and constrained refinement ? ax = 0.50 e A? ? in = ?.35 e A?Related literatureFor the orthorhombic polymorph with the title compound, see: Andrews et al. (1983). Other bis(triphenylphosphine)iminium halide structures include [(Ph3P)2N]Cl (Knapp Uzun, 2010a), [(Ph3P)2N]Br H3CN (Knapp Uzun, 2010b), [(Ph3P)2N]I (Beckett et al., 2010) and [(Ph3P)2N][ClHCl] (Gellhaar Knapp, 2011). For any discussion from the [(Ph3P)2N]+ cation, see: Lewis Dance (2000). To get a theoretical study on boric acid dimers, see: Larkin et al. (2006). For an overview with the diverse polymorphs of boric acid, see: Shuvalov Burns (2003).Table?Hydrogen-bond geometry (A, ).D–H?? O3–H3O?? 2i O2–H2O?? l1 O1–H1O?? l1 D–H 0.86 (three) 0.79 (3) 0.77 (three) H?? 1.90 (three) 2.30 (three) 2.42 (3) D?? 2.7585 (19) 3.0595 (14) three.1757 (17) D–H?? 180 (three) 161 (3) 166 (3)Symmetry code: (i) ; ?1; ?1.Data collection: CrysAlis PRO (Agilent, 2013); cell refinement: CrysAlis PRO; information reduction: CrysAlis PRO; plan(s) made use of to solve structure: SHELXS97 (Sheldrick, 2008); system(s) made use of to refine structure: SHELXL2013 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg et al., 2012); software program employed to prepare material for publication: OLEX2 (Dolomanov et al., 2009).Financial help in the Deutsche Forschungsgemeinschaft (DFG) plus the Fonds der chemischen Industrie (FCI) is gratefully acknowledged.Supplementary information and figures for this paper are out there in the IUCr electronic archives (Reference: SU2629).Acta Cryst. (2013). E69, o1435 1436 doi:10.1107/S1600536813020886 Correia Bicho et al.oorganic compounds
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