Crystal structure of 3-amino-2-ethylquinazolin-4(3H)-one

The mol­ecule of the title compound, C10H11N3O, is planar, including the ethyl group, as indicated by the N-C-C-C torsion angle of 1.5 (2)°. In the crystal, inversion-related mol­ecules are stacked along the a axis. Mol­ecules are oriented head-to-tail and display [pi]-[pi] inter­actions with a centroid-to-centroid distance of 3.6664 (8) Å. N-H...O hydrogen bonds between mol­ecules generate a `step' structure through formation of an R22(10) ring

Crystal structure of 3-amino-2-propylquinazolin-4(3H)-one

In the title molecule, C11H13N3O, the propyl group is almost perpendicular to the quinazolin-4(3H)-one mean plane, making a dihedral angle of 88.98 (9)°. In the crystal, molecules related by an inversion centre are paired via π–π overlap, indicated by the short distances of 3.616 (5) and 3.619 (5) Å between the centroids of the aromatic rings of neighbouring molecules. Intermolecular N—H...N and N—H...O hydrogen bonds form R66(30) rings and C(5) chains, respectively, generating a three-dimensional network. Weak C—H...O interactions are also observed

Crystal structure of 2-(2-methylphenyl)-1,3-thiazolo[4,5-b]pyridine

In the title mol­ecule, C13H10N2S, the dihedral angle between the planes through the non-H atoms of the methylbenzene and thi­azo­lopyridine groups is 36.61 (5)°. In the crystal, the thi­azo­lopyridine groups of inversion-related mol­ecules overlap, with a minimum ring-centroid separation of 3.6721 (9) Å. Furthermore, the methylbenzene groups from neighbouring mol­ecules inter­act edge-to-face at an angle of 71.66 (5)°. In addition, weak C-H... N hydrogen bonds form chains exending along [100]

Crystal structure of 2,2-dimethyl-N-(pyridin-3-yl)propanamide

In the title compound, C10H14N2O, the pyridine ring is inclined to the mean plane of the amide moiety [N-C(=O)C] by 17.60 (8)°. There is an intra­molecular C-H...O hydrogen bond present involving the carbonyl O atom. In the crystal, mol­ecules are linked via N-H...N hydrogen bonds, forming chains propagating along [100]. The tert-butyl group is disordered over two sets of sites with a refined occupancy ratio of 0.758 (12):0.242 (12)

Crystal structure of 2,2-dimethyl-N-(5-methylpyridin-2-yl)propanamide

There are two molecules in the asymmetric unit of the title compound, C11H16N2O. The pyridine rings and amide groups overlap almost perfectly (r.m.s. overlay fit = 0.053 Å), but the tertiary butyl groups have different orientations: in one molecule, one of the methyl C atoms is syn to the amide O atom [O—C—C—C = −0.8 (3)°] and in the other the equivalent torsion angle is 31.0 (2)°. In the crystal, the two independent molecules are linked by a pair of N—H...N hydrogen bonds in the form of an R22(8) loop to form a dimer. A C—H...O interaction connects the dimers into [100] chains

Crystal structure of 2-(1-methylethyl)-1,3-thiazolo[4,5-b]pyridine

In the title mol­ecule, C9H10N2S, one of the methyl groups is almost co-planar with the thia­zolo­pyridine rings with a deviation of 0.311 (3) Å from the least-squares plane of the thia­zolo­pyridine group. In the crystal, weak C-H...N hydrogen-bonding inter­actions lead to the formation of chains along [011]

The use of polymeric sulfides as catalysts for the para-regioselective chlorination of phenol and 2-chlorophenol

Various poly(alkylene sulfide)s have been synthesized and used as catalysts to enhance the para-regioselectivity in chlorination of phenol and 2-chlorophenol using freshly distilled sulfuryl chloride in the presence of AlCl3 as an activator. Poly(alkylene sulfide)s having alternating spacers, one having three methylene groups and the second having three, six or nine methylene groups were the most para-regioselective catalysts in chlorination of both phenol and 2-chlorophenol. For example, chlorination of phenol and 2-chlorophenol in the presence of optimal examples of such poly(alkylene sulfide)s gave 4-chlorophenol and 2,4-dichlorophenol as the major products in 94.8 and 95.4% yields, respectively, compared with 75.4 and 55.0% yields in the absence of catalysts. In addition, double chlorination of phenol in the presence of poly(alkylene sulfide)s gave 2,4-dichlrophenol in up to 97.1% yield compared with only 58.6% in the absence of catalysts

para-Selective chlorination of cresols and m-xylenol using sulfuryl chloride in the presence of poly(alkylene sulfide)s

Chlorination of o-cresol, m-cresol, and m-xylenol using sulfuryl chloride in the presence of a range of poly(alkylene sulfide)s and a Lewis acid (aluminum or ferric chloride) has been studied. The sulfur containing catalysts used led to the production of para-chlorophenols in high yields and higher para/ortho ratios than for reactions in the absence of such poly(alkylene sulfide)s. The effectiveness of the polymers was found to be dependent on the length of the spacer groups between the sulfur atoms. For example, polymers with shorter spacers provided high yields of 4-chloro-o-cresol (ca. 97%), while polymers with at least one longer spacer provided high yields of both 4-chloro-m-cresol (up to 94.6%) and 4-chloro-m-xylenol (up to 97.6%)

Methyl N-(2-bromo-4-chlorophenyl)carbamate

In the title molecule, C8H7BrClNO2, the bromochlorophenyl ring is inclined to the methylcarbamate unit by 32.73 (7). In the crystal, N—HO hydrogen bonds form chains of molecules parallel to [100]

Crystal structure of 3-tert-butyl-3-hydroxy-1,3-dihydro-2H-pyrrolo[3,2-c]pyridin-2-one, C11H14N2O2

Abstract C11H14N2O2, orthorhombic, P212121 (no. 19), a = 7.5411(2) Å, b = 11.5148(2) Å, c = 12.5370(2) Å, V = 1088.64(4) Å3, Z = 4, R gt (F) = 0.0301, wR ref (F 2 ) = 0.0826, T = 296 K.</jats:p