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. 2015 May 23;71(Pt 6):681–683. doi: 10.1107/S2056989015009263

Table 2. Experimental details.

Crystal data
Chemical formula C19H11N3C2H2Cl4
M r 449.14
Crystal system, space group Monoclinic, C2/c
Temperature (K) 90
a, b, c () 20.072(7), 14.190(5), 7.079(3)
() 110.255(4)
V (3) 1891.5(11)
Z 4
Radiation type Mo K
(mm1) 0.64
Crystal size (mm) 0.79 0.40 0.10
 
Data collection
Diffractometer Bruker APEXII CCD area detector
Absorption correction Multi-scan (SADABS; Bruker, 1996)
T min, T max 0.511, 0.938
No. of measured, independent and observed [F 2 > 2(F 2)] reflections 4336, 1670, 1606
R int 0.038
(sin /)max (1) 0.595
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.030, 0.081, 1.06
No. of reflections 1670
No. of parameters 128
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.50, 0.27

Computer programs: APEX2 (Bruker, 2006), SAINT (Bruker, 2004), SHELXT (Sheldrick, 2015a ), SHELXL2014 (Sheldrick, 2015b ) and CrystalStructure (Rigaku, 2010).