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2,3-Dihydro-pyrrolo-[2,1-b]quinazoline-9(1H)-thione.

ABSTRACT: In the crystal, mol-ecules of the title compound, C(11)H(10)N(2)S, are connected by C-H?N inter-actions around threefold axes. Furthermore, they form stacks along the c axis showing ?-? inter-actions between pyrimidine rings [centroid-centroid distance = 3.721?(1)?Å]. The central ring is essentially planar with an r.m.s. deviation of 0.007?Å. The five-membered ring adopts an envelope conformation with the flap atom deviating by 0.241?(4)?Å from the mean plane (r.m.s. deviation = 0.002?Å) through the other four ring atoms.

SUBMITTER: Nasrullayev AO

PROVIDER: S-EPMC3379333 | biostudies-other | 2012 Jun

REPOSITORIES: biostudies-other

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2,3-Dihydro-pyrrolo-[2,1-b]quinazoline-9(1H)-thione.

Nasrullayev Azizbek O AO Elmuradov Burkhon Zh BZh Turgunov Kambarali K KK Tashkhodjaev Bakhodir B Shakhidoyatov Khusnutdin M KM

Acta crystallographica. Section E, Structure reports online 20120516 Pt 6

In the crystal, mol-ecules of the title compound, C(11)H(10)N(2)S, are connected by C-H⋯N inter-actions around threefold axes. Furthermore, they form stacks along the c axis showing π-π inter-actions between pyrimidine rings [centroid-centroid distance = 3.721 (1) Å]. The central ring is essentially planar with an r.m.s. deviation of 0.007 Å. The five-membered ring adopts an envelope conformation with the flap atom deviating by 0.241 (4) Å from the mean plane (r.m.s. deviation = 0.002 Å) through ...[more]

PMID: 22719531

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