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4-(2-Oxa-6-aza-spiro-[3.3]hept-6-yl)-benzo-nitrile.

ABSTRACT: In the title compound, C(12)H(12)N(2)O, the azetidine ring (r.m.s. deviation = 0.021?Å) and the oxetane ring (r.m.s. deviation = 0.014?Å) are nearly perpendicular to each other [dihedral angle = 89.7?(1)°]. The azetidine ring is twisted out of the plane of the benzene ring by 18.3?(1)°. In the crystal structure, mol-ecules are linked to form chains along the c axis by C-H?O hydrogen bonds.

SUBMITTER: Li J

PROVIDER: S-EPMC2979228 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

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4-(2-Oxa-6-aza-spiro-[3.3]hept-6-yl)-benzo-nitrile.

Li Jian J Xu Ting T Wu Peng-Bo PB Lu Jing J Tang Yao Y

Acta crystallographica. Section E, Structure reports online 20100428 Pt 5

In the title compound, C(12)H(12)N(2)O, the azetidine ring (r.m.s. deviation = 0.021 Å) and the oxetane ring (r.m.s. deviation = 0.014 Å) are nearly perpendicular to each other [dihedral angle = 89.7 (1)°]. The azetidine ring is twisted out of the plane of the benzene ring by 18.3 (1)°. In the crystal structure, mol-ecules are linked to form chains along the c axis by C-H⋯O hydrogen bonds. ...[more]

PMID: 21579220

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