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C13H12N4, monoclinic, P121/c1 (no. 14), a = 8.682(1) Å, b = 17.542(3) Å, c = 7.571(1) Å, ' = 90.649(2)°, V = 1153.0 Å, Z = 4, Rgt(F) = 0.043, wRref(F) = 0.111, T = 296 K. Source of material Benzimidazole (3 mmol) and NaH (9 mmol) were dissolved in dry dioxane (25 ml) and the solution was stirred for 2 h at room temperature, then 4,6-dimethyliodopyrimidine (3 mmol) was added. The resultant solution was heated to reflux for 6 h, removal of solvent resulted in a white powder that was recrystallized from dichloromethane/petroleum ether solution at room temperature to give the desired crystals suitable for single crystal X-ray diffraction. Discussion Benzimidazole is an interesting heterocyclic ligand with nitrogen as the donor atom because it is a component of biologically important molecules [1]. Benzimidazole derivatives and their metal complexes have been extensively investigated recently [2,3]. Additionally, benzimidazolium salts are widely used in preparation of N-heterocyclic carbene ligands [4,5]. Among them, only few pyrimidine-functionalized NHC ligands have been reported [6,7]. The pyrimidine ring and benzimidazole ring of the title molecule are approximately coplanar with a dihedral angle of 2.5°. All the bond distances and angles are within normal ranges. The H atoms of the methyl groups in the pyrimidine ring are disordered over two positions; their site-occupation factors were fixed at 0.5. There exist two types of intermolecular C–H···N hydrogen bonds (the distances are 2.748 Å and 2.645 Å), which construct the chain structure. In addition, there are two types of intermolecular *-* stacking interactions. One *-* stacking interaction is between the pyrimidine rings of the two chains (the interplane distance is 3.414 Å) [8]. The other *-* stacking interaction is pyrimidine ring and benzimidazole ring (the interplane distance 3.593 Å), which link the molecules into a layers. Z. Kristallogr. NCS 226 (2011) 89-90 / DOI 10.1524/ncrs.2011.0043 89 © by Oldenbourg Wissenschaftsverlag, München Crystal: yellow block, size 0.08 × 0.19 × 0.25 mm Wavelength: Mo K( radiation (0.71073 Å) +: 0.82 cm−1 Diffractometer, scan mode: Bruker SMART CCD, "/$ 2)max: 51° N(hkl)measured, N(hkl)unique: 8476, 2143 Criterion for Iobs, N(hkl)gt: Iobs > 2 &(Iobs), 1364 N(param)refined: 155 Programs: SHELXS-97, SHELXL-97, SHELXTL [9] Table 1. Data collection and handling. H(1) 4e −0.1120 0.3435 0.5880 0.070 H(3) 4e 0.3388 0.2192 0.4031 0.080 H(4) 4e 0.5788 0.2723 0.4493 0.089 H(5) 4e 0.6055 0.3900 0.5816 0.088 H(6) 4e 0.3915 0.4585 0.6722 0.073 H(10) 4e −0.0903 0.6391 0.9169 0.063 H(12A) 4e 0.50 −0.3814 0.5011 0.8087 0.102 H(12B) 4e 0.50 −0.3689 0.5899 0.7908 0.102 H(12C) 4e 0.50 −0.3451 0.5511 0.9757 0.102 H(12D) 4e 0.50 −0.3489 0.5937 0.9081 0.102 H(12E) 4e 0.50 −0.3614 0.5048 0.9260 0.102 H(12F) 4e 0.50 −0.3851 0.5436 0.7411 0.102 H(13A) 4e 0.50 0.3163 0.6225 0.8476 0.112 H(13B) 4e 0.50 0.2153 0.6485 1.0070 0.112 H(13C) 4e 0.50 0.1955 0.6881 0.8225 0.112 H(13D) 4e 0.50 0.1685 0.6836 0.9372 0.112 H(13E) 4e 0.50 0.2694 0.6575 0.7778 0.112 H(13F) 4e 0.50 0.2892 0.6180 0.9623 0.112 Table 2. Atomic coordinates and displacement parameters (in Å). Atom Site Occ. x y z Uiso

Crystal structure of 1-(4,6-dimethylpyrimidin-2-yl)benzimidazole, C 13 H 12 N 4