Crystal data and refinement parameters for 6d, 6f and 6n.

Identification code	6d	6f	6n
Empirical formula	C21H19ClN6O2	C21H19N7O4	C19H18N8O2
Formula weight	422.88	433.43	390.41
Temperature/K	100	100	100
Crystal system	Monoclinic	Triclinic	Monoclinic
Space group	P21/n	P1̄	P21/c
a/Å	5.69780(10)	8.2628(2)	30.7919(5)
b/Å	21.2347(3)	9.9451(2)	5.80932(8)
c/Å	16.1672(2)	12.8729(3)	9.90381(15)
α/°	90	74.307(2)	90
β/°	98.5610(10)	74.059(2)	96.4675(15)
γ/°	90	79.348(2)	90
Volume/Å3	1934.29(5)	972.22(4)	1760.32(5)
Z	4	2	4
ρ calc g cm−3	1.4520	1.481	1.473
μ/mm−1	2.024	0.890	0.843
F(000)	884.1	452.0	816.0
Crystal size/mm3	0.2 × 0.1 × 0.05	0.13 × 0.1 × 0.05	0.2 × 0.1 × 0.05
Radiation	Cu Kα (λ = 1.54184)	Cu Kα (λ = 1.54184)	Cu Kα (λ = 1.54184)
2Θ range for data collection/°	8.32 to 160.48	9.304 to 158.86	8.67 to 159.206
Index ranges	−6 ≤ h ≤ 5	−6 ≤ h ≤ 10	−38 ≤ h ≤ 38
	−26 ≤ k ≤ 24	−12 ≤ k ≤ 12	−5 ≤ k ≤ 7
	−20 ≤ l ≤ 20	−11 ≤ l ≤ 16	−12 ≤ l ≤ 12
Reflections collected	10 531	10 168	9609
Independent reflections	4009 [Rint = 0.0330, Rsigma = 0.0373]	4089 [Rint = 0.0215, Rsigma = 0.0248]	3735 [Rint = 0.0264, Rsigma = 0.0334]
Data/restraints/parameters	4009/0/271	4089/0/289	3735/0/316
Goodness-of-fit on F2	1.028	1.061	1.028
Final R indexes [I ≥ 2σ(I)]	R 1 = 0.0419, wR2 = 0.1168	R 1 = 0.0365, wR2 = 0.0980	R 1 = 0.0430, wR2 = 0.1147
Final R indexes [all data]	R 1 = 0.0448, wR2 = 0.1189	R 1 = 0.0382, wR2 = 0.0996	R 1 = 0.0461, wR2 = 0.1173