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(Z)-Amino-(2-methyl-3-oxoisoindolin-1-yl-idene)acetonitrile.

ABSTRACT: The asymmetric unit of the title compound, C(11)H(9)N(3)O, contains two independent and nearly identical mol-ecules (A and B). Mol-ecule A can be transformed to B using a rotation of approximately 85° around the [111] direction. Each A mol-ecule is connected to three B mol-ecules via N-H?N and N-H?O hydrogen bonds and vice versa. Centrosymmetric-ally related mol-ecules of the same residue form ?-? inter-actions with centroid-centroid distances of 4.326?(1) and 3.826?(1)?Å for the benzene rings of mol-ecules A and B, respectively.

SUBMITTER: Schollmeyer D

PROVIDER: S-EPMC2971748 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

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(Z)-Amino-(2-methyl-3-oxoisoindolin-1-yl-idene)acetonitrile.

Schollmeyer Dieter D Ferenc Dorota D Opatz Till T

Acta crystallographica. Section E, Structure reports online 20091107 Pt 12

The asymmetric unit of the title compound, C(11)H(9)N(3)O, contains two independent and nearly identical mol-ecules (A and B). Mol-ecule A can be transformed to B using a rotation of approximately 85° around the [111] direction. Each A mol-ecule is connected to three B mol-ecules via N-H⋯N and N-H⋯O hydrogen bonds and vice versa. Centrosymmetric-ally related mol-ecules of the same residue form π-π inter-actions with centroid-centroid distances of 4.326 (1) and 3.826 (1) Å for the benzene rings o ...[more]

PMID: 21578761

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