NQR investigations in crystalline 2,6-dichlorobenzamide

Two resonance lines were observed in 2,6-dichlorobenzamide, both in liquid nitrogen and at room temperatures, using a self quenched super-regenerative NQR spectrometer. Analysis of the Zeeman effect on the two lines using an uncut crystal grown from solution reveals: (1) the crystal belongs to the orthorhombic system; (2) there are two crystallographically equivalent but physically non-equivalent directions for the principal field gradient making an angle of 71° for the low frequency line, and four such directions for the high frequency line; (3) the directions of the crystalline axes a, b and c are tentatively fixed as (90°, 90°), (90°, 90°) and (0°,—); (4) from morphological studies a: b: c are estimated as 0.959 ± 0.005: 1:1,402 ± 0.005 and, from the estimated density (1.440 gms/cc) of the crystal, the absolute values a, b, c are calculated, on the basis of four molecules per unit cell, as a = 8.33 Å, b = 8.68 Å and c = 12.18 Å; (5) there are a mininium of four molecules per unit cell; the four molecules lie in four different planes which are, however, connected by symmetry operations. There is an inplane bending by 6.5° between the two C? Cl bonds away from one another and (6) the ionic, single bond and double bond characters for both chlorines are almost equal and are in the ratio 25:72:3.