Table 1.

Crystal data and structure refining for the studied compounds.

	1a	1b	2b	3b	4
Chemical formula	C6H9N3O	C7H10N2O2	C5H7N3O2	C5H5N3O4	C5H8N4O4
M r	139.16	154.17	141.14	171.12	188.15
Crystal system, space group	Monoclinic, P21/c	Monoclinic, P21/n	Monoclinic, P21/n	Monoclinic, P21/m	Monoclinic, P21/n
a, b, c (Å)	14.7736 (4), 7.2104 (2), 13.6295 (4)	9.7186 (7), 6.0828 (4), 13.4976 (11)	10.8040 (5), 13.6444 (5), 13.8883 (6)	5.5232 (3), 6.1484 (3), 10.8318 (5)	3.7803 (1), 22.9836 (7), 9.0425 (3)
β (°)	90.800 (3)	102.810 (7)	110.173 (5)	102.679 (5)	98.082 (3)
V (Å3)	1451.72 (7)	778.07 (10)	1921.74 (15)	358.87 (3)	777.85 (4)
Z	8	4	12	2	4
µ (mm−1)	0.09	0.1	0.12	0.14	0.14
Crystal size (mm)	0.5 × 0.4 × 0.2	0.5 × 0.3 × 0.1	0.4 × 0.3 × 0.2	0.5 × 0.4 × 0.2	0.4 × 0.3 × 0.2
No. of measured, independent and observed [I > 2σ(I)] reflections	9524, 2826, 2196	5041, 1523, 1130	9264, 3742, 2660	2439, 776, 685	5234, 1530, 1186
R int	0.024	0.037	0.027	0.013	0.027
(sin θ/λ)max (Å−1)	0.617	0.616	0.617	0.617	0.617
Refinement
R[F2 > 2σ(F2)], wR(F2), S	0.037, 0.103, 1.08	0.038, 0.103, 0.88	0.034, 0.085, 0.77	0.027, 0.076, 1.11	0.029, 0.070, 0.95
No. of reflections	2826	1523	3742	776	1530
No. of parameters	185	102	292	79	120
H-atom treatment	H-atom parameters constrained	H-atom parameters constrained	H atoms treated by a mixture of independent and constrained refinement	H atoms treated by a mixture of independent and constrained refinement	H-atom parameters constrained
Δρmax, Δρmin (e Å−3)	0.26, −0.26	0.20, −0.27	0.17, −0.25	0.29, −0.19	0.24, −0.24