The Scientific World Journal

Research Article

Synthesis, Characterization, and Anticancer Activity of New Quinazoline Derivatives against MCF-7 Cells

Table 1

X-ray crystallographic data table for compound 1.


Identification code	Compound 1

Empirical formula	C₂₃H₂₁Br₂N₃O₄S
Formula weight	595.31
Temperature/K	100(2)
Crystal system	Monoclinic
Space group	C2/c
	21.906(5)
	9.071(2)
	25.497(6)
	90.00
	109.622(5)
	90.00
Volume/Å³	4773(2)
	8
mg/mm³	1.657
m/mm⁻¹	3.520
(000)	2384.0
Crystal size/mm³	0.35 × 0.22 × 0.14
Radiation	MoK ( = 0.71073)
2 range for data collection	4.9 to 54°
Index ranges	−27 18, −11 11, −32 32
Reflections collected	12389
Independent reflections	5055 [ = 0.0376, = 0.0490]
Data/restraints/parameters	5055/0/318
Goodness-of-fit on	1.097
Final indexes	= 0.0500, = 0.1154
Final indexes [all data]	= 0.0655, = 0.1212
Largest diff. peak/hole/e Å⁻³	1.36/−0.93

Crystal data for compound 1 ( = 595.31): monoclinic, space group C2/c (no. 15), = 21.906(5) Å, = 9.071(2) Å, = 25.497(6) Å, = 109.622(5)°, = 4773(2) Å³, = 8, = 100(2) K, (MoK) = 3.520 mm⁻¹, = 1.657 g/mm³, 12389 reflections measured (4.9 ≤ 2 ≤ 54), 5055 unique ( = 0.0376, = 0.0490) which were used in all calculations. The final was 0.0500 (>2sigma()) and was 0.1212 (all data).