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. 2015 May 23;71(Pt 6):660–662. doi: 10.1107/S2056989015008099

Table 2. Experimental details.

Crystal data
Chemical formula C14H13ClN2O2S
M r 308.77
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 296
a, b, c () 6.5661(10), 10.2595(18), 11.3490(19)
, , () 69.101(7), 88.219(7), 77.238(7)
V (3) 695.6(2)
Z 2
Radiation type Mo K
(mm1) 0.43
Crystal size (mm) 0.23 0.18 0.16
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2013)
T min, T max 0.912, 0.934
No. of measured, independent and observed [I > 2(I)] reflections 9865, 2454, 1980
R int 0.053
(sin /)max (1) 0.595
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.050, 0.146, 1.09
No. of reflections 2454
No. of parameters 181
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.59, 0.43

Computer programs: APEX2 and SAINT (Bruker, 2013), SHELXS97 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015), ORTEP-3 for Windows (Farrugia, 2012) and Mercury (Macrae et al., 2008).