**3.4 Structural analysis of 1-(3,5-dimethylphenyl)-4,5-dimethyl-2-phenyl-1***H***imidazole hemihydrate (DMPDMPIHH)**

The specifics of DMPDMPIHH's structure are shown in this section [13]. The crystal structure was solved by SHELXS97 [19]. The final crystal structure model is enhanced using the tool SHELXL97 [19].

**Figure 5.** *The crystal packing with hydrogen bonds [21], viewed along the a-axis.*

This compound belongs to the orthorhombic crystal system with the space group Pbcn. Molecular formula: C19H20N2.0.5H2O; molecular weight: 285.38; crystal data: a = 16.7611 (2) Å; b = 11.5467 (2) Å; c = 16.6563 (2) Å; α = β = γ = 90°; V = 3223.58 (8) Å3 ; Z = 8; DX = 1.176 Mg m<sup>3</sup> ; F(000) = 1224; final R[F<sup>2</sup> > 2σ(F2 )] = 0.062 and wR (F<sup>2</sup> ) = 0.171 for 2630 reflections observed with I > 2σ(I).

The atom H1W was introduced alongside the atom O1W, found in a differential Fourier map and refined without restriction. O1W is home to an additional hydrogen atom that follows the (x, y, 1/2 z) symmetry. With

*Selected Imidazole Derivatives: Synthesis and X-Ray Crystal Structure – A Review DOI: http://dx.doi.org/10.5772/intechopen.108488*

**Figure 6.** *The thermal displacement ellipsoid plot [20] is shown at a 30% probability level.*

CdH = 0.95–0.98 Å; Uiso(H) = kUeq(C), where k = 1.5 for dCH3 and 1.2 for the other H atoms, the residual H atoms were oriented geometrically and acknowledged riding on their parent atoms.

In this compound (**Figure 8**), with a maximum deviation of 0.005 (1) Å for N3, the imidazole ring is planar. The imidazole ring makes dihedral angles of 67.46 (10) and 23.10 (11)° with the (C11dC16) and (C21dC26), respectively. 68.22 (10)° is the dihedral angle between the benzene and phenyl rings. Intermolecular O1WdH1W⋯N3 (x, y, z + 1/2) and C12dH12⋯N3 (x, y + 1, z) hydrogen bonds are found in the crystal structure (**Figure 9**).

The ORTEP-3 for Windows drew the thermal displacement ellipsoid plot with a 30% probability level [20] (**Figure 8**). The crystal packing using the PLATON [21] was viewed along the b-axis (**Figure 9**).
