Abstract
C8H11Cl2 N5 is monoclinic, P21/n. The unit-cell dimensions at 293 K are a = 9.3569(9), b = 13.6832(14), c = 18.4879(19)Å, Å = 98.411(2)°, V = 2341.6(4)Å3, Dx = 1.408 g/cm3, and Z = 8. The R value is 0.043 for 4129 reflections. The monoclinic unit cell contains two crystallographic independent molecules, A and B. The Cl(1) and Cl(4) ions are coordinated to 5 and 6 N atoms, respectively. In the crystal, there are two hydrogen bonds between N5A and N3B:N5B and N3A of the neighboring molecules, and constitute the major intermolecular attraction and packing force. These two molecules make a centro-symmetric dimer.
