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. 2015 Jun 10;71(Pt 7):763–765. doi: 10.1107/S2056989015010774

Table 2. Experimental details.

Crystal data
Chemical formula C15H15N3S2
M r 301.44
Crystal system, space group Monoclinic, P21/c
Temperature (K) 296
a, b, c () 8.1035(4), 12.0193(5), 15.1312(7)
() 94.347(2)
V (3) 1469.52(12)
Z 4
Radiation type Cu K
(mm1) 3.22
Crystal size (mm) 0.27 0.25 0.24
 
Data collection
Diffractometer Bruker X8 Proteum
Absorption correction Multi-scan (SADABS; Bruker, 2013)
T min, T max 0.477, 0.512
No. of measured, independent and observed [I > 2(I)] reflections 11926, 2397, 2262
R int 0.044
(sin /)max (1) 0.583
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.046, 0.127, 1.07
No. of reflections 2397
No. of parameters 183
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.37, 0.44

Computer programs: APEX2 and SAINT (Bruker, 2013), SHELXS97 and SHELXL97 (Sheldrick, 2008), Mercury (Macrae et al., 2008) and PLATON (Spek, 2009).