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. 2021 Apr 11;14(8):1909. doi: 10.3390/ma14081909

Table 1.

Crystal structure data of BTN.

Formula C14H12N4O2S
CCDC number 1977053
Mr 300.34
crystal size (mm3) 0.40 × 0.20 × 0.07
crystal system Monoclinic
space group P21/n
a (Å) 13.053(3)
b (Å) 6.9678(14)
c (Å) 14.799(3)
α(deg) 90
β (deg) 106.85(3)
γ (deg) 90
V (Å3) 1288.2(4)
Z 4
F(000) 624
calcd (mg m−3) 1.549
(mm−1) 0.262
range (deg) 1.83 to 27.52
R1 [I > 2σ(I)] 0.0481
wR2 [I > 2σ(I)] 0.1163
goodness of fit 1.150