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. 2015 May 13;71(Pt 6):621–623. doi: 10.1107/S2056989015008221

Table 2. Experimental details.

Crystal data
Chemical formula C10H15ClNS+Cl
M r 252.19
Crystal system, space group Monoclinic, P21/n
Temperature (K) 298
a, b, c () 6.5717(10), 11.8058(17), 16.201(2)
() 97.374(3)
V (3) 1246.5(3)
Z 4
Radiation type Mo K
(mm1) 0.65
Crystal size (mm) 0.28 0.24 0.20
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2013)
T min, T max 0.839, 0.881
No. of measured, independent and observed [I > 2(I)] reflections 9002, 2255, 1584
R int 0.100
(sin /)max (1) 0.600
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.065, 0.158, 1.04
No. of reflections 2255
No. of parameters 128
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.50, 0.23

Computer programs: APEX2 and SAINT (Bruker, 2013), SHELXS97 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015), Mercury (Macrae et al., 2008) and PLATON (Spek, 2009).