Crystal data for p-chloroiodobenzene and p-bromochlorobenzene/p-chloroiodobenzene mixed crystals at 293 K

Abstract

The powder data for p-chloroiodobenzene and p-bromochlorobenzene/p-chloroiodobenzene mixed crystals [pBCB] x [pCIB]1 − x at 293 K are reported; their stability at 293 K is given. The cell dimensions have been refined by least squares from accurate powder diffractometer data recorded at T = 293 (1) K (quartz as internal standard). Vertical diffractometer, graphite monochromator, Cu Kα 1−Cu Kα 2 correction so that λ = 1.54056 Å. They are all isomorphous, monoclinic, P21/a with Z = 2. a = 15.818(4), b = 5.912(2), c = 4.214(2) Å, β = 113.61(1)°, V = 361.1 Å3, Dx = 2.193 Mg m−3 for pCIB; JCPDS No. 37–2000. a = 15.210(5), b = 5.860(3), c = 4.091(2) Å, β = 112.64(2)°, V = 336.5 Å3, Dx = 1.936 Mg m−3 for [pBCB]0.90[pCIB]0.10; JCPDS No. 37–1989. a = 15.287(6), b = 5.870(3), c = 4.111(2) Å, β = 112.78(2)°, V = 340.1 Å3, Dx = 1.961 Mg m−3 for [pBCB]0.80[pCIB]0.20; JCPDS No. 37–1990. a = 15.360(5), b = 5.880(2), c = 4.126(1) Å, β = 112.87(2)°, V = 343.3 Å3, Dx = 1.988 Mg m−3 for [pBCB]0.70[pCIB]0.30; JCPDS No. 37–1991. a = 15.424(5), b = 5.889(3), c = 4.137(2) Å, β = 112.99(2)°, V = 346.0 Å3, Dx = 2.018 Mg m−3 for [pBCB]0.60[pCIB]0.40; JCPDS No. 37–1992. a = 15.493(4), b = 5.896(2), c = 4.155(2) Å, β = 113.09(2)°, V= 349.1 Å3, Dx = 2.045 Mg m−3 for [pBCB]0.50[pCIB]0.50; JCPDS No. 37–1993. a = 15.566(5), b = 5.901(3), c = 4.168(2) Å, β = 113.20(2)°, V = 351.9 Å3, Dx = 2.073 Mg m−3 for [pBCB]0.40[pCIB]0.60; JCPDS No. 37–1994. a = 15.623(5), b = 5.904(3), c = 4.178(3) Å, β = 113.26(2), V = 354.0 Å3, Dx = 2.105 Mg m−3 for [pBCB]0.30[pCIB]0.70; JCPDS No. 37–1995. a = 15.691(4), b = 5.913(3), c = 4.195(2)Å, β = 113.43(2)°, V = 357.1 Å3, Dx = 2.130 Mg m−3 for [pBCB]0.20[pCIB]0.80; JCPDS No. 37–1996. a = 15.759(4), b = 5.906(2), c = 4.204(2) Å, β = 113.55(2)°, V = 358.7 Å3, Dx = 2.164 Mg m−3 for [pBCB]0.10[pCIB]0.90; JCPDS No. 37–1999.