Data collection Rigaku Saturn diffractometer

Crystal dat

Refinement R[F 2>2 (F 2)] = 0.035

wR(F 2) = 0.07

T min = 0.681, T max = 0.819 Refinement R[F 2>2 (F 2)] = 0.029

wR(F 2) = 0.064 S = 0.99 2967 reflections 231 parameters 1 restraint 11217 measured reflections 2967 independent reflections 2459 reflections with I>2 (I) Rint = 0.049 H atoms treated by a mixture of independent and constrained refinement max = 0.44 e A ˚ 3 min = 0.37 e A ˚

Refinement

R[F 2>2 (F 2)] = 0.043 wR(F 2) = 0.119 S = 1.07 3599 reflections 274 parameters 4 restraints = 0.08 mm 1 T = 113 K 0.18 0.16 0.12 mm 31345 measured reflections 3599 independent reflections 3269 reflections with I>2 (I) R int = 0.037 H atoms treated by a mixture of independent and constrained refinement max = 0.26 e A ˚ 3 min = 0.27 e A ˚ 3 Key indicators: single-crystal X-ray study; T = 113 K; mean (C–C) = 0.002 A˚; R factor = 0.043; wR factor = 0.119; data-to-parameter ratio = 13.1. There are two independent molecules in the the asymmetric unit of the title compound, C11H14N2O. The heterocyclic ring of the bicyclic system has a sofa conformation, with the C atom bearing the two methyl groups displaced by 0.541 (7) A ˚ from the rest of the atoms of the ring [planar to within 0.064 (9) A ˚]. Molecules are linked into centrosymmetric dimers via N— H O hydrogen bonds. Related literature For medicinal and biological properties of dihydroquinazolin

Data collection Rigaku Saturn diffractometer

34375 measured reflections 8701 independent reflections 8283 reflections with I>2 (I) R int = 0.04

Data collection Rigaku Mercury diffractometer

0.020; wR factor = 0.049; data-to-parameter ratio = 21.8

Refinement

S = 0.96 2612 reflection

Data collection Rigaku Mercury diffractometer

0.50 0.30 0.20 m

T min = 0.601, T max = 0.843 Refinement R[F 2>2 (F 2)] = 0.032

2 O 1:O 4] dihydrate

Refinement

S = 1.10 4046 reflection