Premium
Crystal data for p ‐chloroiodobenzene and p ‐bromochlorobenzene/ p ‐chloroiodobenzene mixed crystals at 293 K
Author(s) -
Alcobé X.,
Estop E.,
Haget Y.,
Cuevas M. A.,
Labrador M.,
Calvet T.,
Tauler E.
Publication year - 1987
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889887087168
Subject(s) - diffractometer , monoclinic crystal system , crystallography , monochromator , crystal (programming language) , crystal structure , chemistry , quartz , powder diffraction , materials science , metallurgy , wavelength , optoelectronics , computer science , programming language
The powder data for p ‐chloroiodobenzene and p ‐bromochlorobenzene/ p ‐chloroiodobenzene mixed crystals [ p BCB] x [ p CIB] 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, P 2 1 / a with Z = 2. a = 15.818(4), b = 5.912(2), c = 4.214(2) Å, β = 113.61(1)°, V = 361.1 Å 3 , D x = 2.193 Mg m −3 for p CIB; JCPDS No. 37–2000. a = 15.210(5), b = 5.860(3), c = 4.091(2) Å, β = 112.64(2)°, V = 336.5 Å 3 , D x = 1.936 Mg m −3 for [ p BCB] 0.90 [ p CIB] 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 Å 3 , D x = 1.961 Mg m −3 for [ p BCB] 0.80 [ p CIB] 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 Å 3 , D x = 1.988 Mg m −3 for [ p BCB] 0.70 [ p CIB] 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 Å 3 , D x = 2.018 Mg m −3 for [ p BCB] 0.60 [ p CIB] 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 Å 3 , D x = 2.045 Mg m −3 for [ p BCB] 0.50 [ p CIB] 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 Å 3 , D x = 2.073 Mg m −3 for [ p BCB] 0.40 [ p CIB] 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 Å 3 , D x = 2.105 Mg m −3 for [ p BCB] 0.30 [ p CIB] 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 Å 3 , D x = 2.130 Mg m −3 for [ p BCB] 0.20 [ p CIB] 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 Å 3 , D x = 2.164 Mg m −3 for [ p BCB] 0.10 [ p CIB] 0.90 ; JCPDS No. 37–1999.