Novel and Complexes of Natural Product Tryptanthrin: Synthesis and Binding with G-Quadruplex DNA

Table 1

The X-ray crystal data collection for complexes 1 and 2.

Identification code	1	2
Empirical formula		C30H16Co0.5N4O4CH3OH
Formula weight	1016.79	541.97
Temperature/K	122(3)	296.15
Crystal system	Monoclinic	Monoclinic
Space group	C2/c	C2/c
/Å, /Å, /Å	22.1273(20), 16.2600(9), 15.7165(14)	22.010(18), 18.811(16), 15.132(12)
α/°, β/°, γ/°	90.00, 120.361(12), 90.00	90.00, 117.842(8), 90.00
Volume/Å^3	4879.1(7)	5540(8)
	4	8
/mg mm^−3	1.384	1.300
μ/mm^−1	0.373	0.373
(000)	2088	2236
Crystal size/mm^3	0.30 × 0.15 × 0.08	0.35 × 0.25 × 0.11
2 range for data collection	5.82 to 50.24°	3.02 to 50.06°
Index ranges	−26 ≤ ≤ 26, −19 ≤ ≤ 18, −18 ≤ ≤ 18	−26 ≤ ≤ 26, −22 ≤ ≤ 22, −17 ≤ ≤ 18
Reflections collected	11653	19705
Independent reflections	4357 [(int) = 0.0739]	4867 [(int) = 0.1359]
Data/restraints/parameters	4357/0/340	4867/0/378
Goodness-of-fit on	1.021	1.633
Final indexes [ ()]	= 0.0724, = 0.1286	= 0.1712, = 0.4443
Final indexes (all data)	= 0.1345, = 0.1555	= 0.2737, = 0.5060
Largest diff. peak/hole/ Å^−3	0.559/−0.541	0.803/−0.997