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5'-Methyl-4'-oxo-7'-phenyl-3',4'-dihydro-1'H-spiro-[cyclo-hexane-1,2'-quinazoline]-8'-carbonitrile.

ABSTRACT: The title compound, C(21)H(21)N(3)O, was obtained by cyclo-condensation of 3-amino-5-methyl-[1,1'-biphen-yl]-2,4-di-car-bo-nitrile with cyclo-hexa-none. The six-membered 1,3-diaza ring assumes an envelope conformation [with the flap atom displaced by 0.511?(7)?Å from the plane through the other ring atoms] and the cyclo-hexane ring displays a chair conformation. The dihedral angle between the aromatic rings is 42.61?(7)°.In the crystal, the mol-ecules form hydrogen-bonded bands along [011].

SUBMITTER: Tang J

PROVIDER: S-EPMC3152013 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

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5'-Methyl-4'-oxo-7'-phenyl-3',4'-dihydro-1'H-spiro-[cyclo-hexane-1,2'-quinazoline]-8'-carbonitrile.

Tang Jianhong J Shi Daxin D Yan Liupan L Liu Xuan X Li Jiarong J

Acta crystallographica. Section E, Structure reports online 20110618 Pt 7

The title compound, C(21)H(21)N(3)O, was obtained by cyclo-condensation of 3-amino-5-methyl-[1,1'-biphen-yl]-2,4-di-car-bo-nitrile with cyclo-hexa-none. The six-membered 1,3-diaza ring assumes an envelope conformation [with the flap atom displaced by 0.511 (7) Å from the plane through the other ring atoms] and the cyclo-hexane ring displays a chair conformation. The dihedral angle between the aromatic rings is 42.61 (7)°.In the crystal, the mol-ecules form hydrogen-bonded bands along [011]. ...[more]

PMID: 21837071

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