Experimental details for the title compound.

Empirical formula	C21H16N4OS·H2O
Formula weight	390.45
Temperature	173(2) K
Wavelenght	0.71073 Å
Crystal system	Monoclinic
Space group	P21/n
Unit cell dimensions	a = 6.9104 (3) Å
	b = 19.6432 (7) Å
	c = 14.0505 (5) Å
β (°)	100.235 (4)
Volume	1876.90 (13) Å3
Z	4
Density (calculated)	1.382 Mg m−3
Absorbtion coefficient	0.20 mm−1
F (000)	816
Crystal size	0.54 × 0.14 × 0.12 mm3
Ɵ Range for data collection	2.5–32.7°
Index ranges	−6 ≤ h ≤ 10, −24 ≤ k ≤ 29, −18 ≤ l ≤ 21
Reflections collected	12 574
Independent reflections	6185 [R(int) = 0.0244]
Refinement method	Full-matrix least-squares on F2
Data/restraints/parameters	4364/0/256
Goodness-of-fit on F2	1.027
Final R indices	R 1 = 0.0570
[I > 2σ(I)]	wR2 = 0.1497
R indices (all data)	R 1 = 0.0856 wR2 = 0.1744
Largest diff. peak and hole (e Å−3)	0.379/−0.408