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5-Amino-3-methyl-1,2-oxazole-4-carbonitrile.

ABSTRACT: In the title compound, C(5)H(5)N(3)O, the isoxazole ring is essentially planar, with a maximum deviation of 0.007 (1) Å from the least-squares plane. The N atom of the amine group exhibits sp(2) character (sum of bond angles around this atom = 358°). In the crystal, mol-ecules are aggregated by two kinds of N-H⋯N hydrogen bonds into fused R(2) (2)(12) and R(6) (6)(26) rings, forming a slightly puckered two-dimensional array lying parallel to (101).

SUBMITTER: Shoghpour S

PROVIDER: S-EPMC3414977 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1-Methyl-3-(2-methyl-phen-yl)-3,3a,4,9b-tetra-hydro-1H-chromeno[4,3-c][1,2]oxazole-3a-carbonitrile.

Project description:In the title compound, C(19)H(18)N(2)O(2), the five-membered isoxazole ring adopts an envelope conformation and the deviation of the N atom from the mean plane of the isoxazole ring is -0.3256 (11) Å. The pyran ring adopts a half-chair conformation. The isoxazole ring forms dihedral angles of 44.07 (7) and 84.23 (7)° with the pyran and methyl-benzene rings, respectively. The mol-ecular structure is stabilized by weak C-H⋯π inter-actions.

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5-(3-Methyl-phen-yl)-3-phenyl-1,2-oxazole.

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Crystal structure of ethyl 3-(4-chloro-phen-yl)-5-[(E)-2-(di-methyl-amino)-ethen-yl]-1,2-oxazole-4-carboxyl-ate.

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Project description:In the title compound, C21H16BrNO3, the mean planes of the anthracene tricycle and isoxazole ring are inclined to each other at a dihedral angle of 72.12?(7)°. The carb-oxy group is slightly out of the isoxazole mean plane, with a maximum deviation of 0.070?(5)?Å for the carbonyl O atom. In the crystal, pairs of weak C-H?O hydrogen bonds link the mol-ecules into dimers, and weak C-H?N inter-actions further link these dimers into corrugated layers parallel to the bc plane.

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2-Amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.

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