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. 2014 Oct 24;70(Pt 11):382–384. doi: 10.1107/S1600536814022879

Table 3. Experimental details.

Crystal data
Chemical formula C12H13N2 +Cl
M r 220.69
Crystal system, space group Monoclinic, C2/c
Temperature (K) 173
a, b, c () 21.341(3), 5.3728(4), 19.940(3)
() 98.291(10)
V (3) 2262.4(5)
Z 8
Radiation type Mo K
(mm1) 0.31
Crystal size (mm) 0.45 0.35 0.25
 
Data collection
Diffractometer STOE IPDS 2
Absorption correction Multi-scan (MULscanABS in PLATON; Spek, 2009)
T min, T max 0.578, 1.000
No. of measured, independent and observed [I > 2(I)] reflections 7392, 2140, 1517
R int 0.120
(sin /)max (1) 0.609
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.057, 0.141, 0.93
No. of reflections 2140
No. of parameters 148
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
max, min (e 3) 0.30, 0.47

Computer programs: X-AREA and X-RED32 (Stoe Cie, 2009), SHELXS2013 and SHELXL2013 (Sheldrick, 2008), PLATON (Spek, 2009), Mercury (Macrae et al., 2008), and publCIF (Westrip, 2010).