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

Nasrullayev AO, Elmuradov BZh, Turgunov KK, Tashkhodjaev B, Shakhidoyatov KM - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: 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 the other four ring atoms.

View Article: PubMed Central - HTML - PubMed

Affiliation: S. Yunusov Institute of the Chemistry of Plant Substances, Academy of Sciences of Uzbekistan, Mirzo Ulugbek Str. 77, Tashkent 100170, Uzbekistan.

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 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 the other four ring atoms.

No MeSH data available.


Related in: MedlinePlus

The molecular structure of the title compound with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
getmorefigures.php?uid=PMC3379333&req=5

Fap2: The molecular structure of the title compound with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.


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

Nasrullayev AO, Elmuradov BZh, Turgunov KK, Tashkhodjaev B, Shakhidoyatov KM - Acta Crystallogr Sect E Struct Rep Online (2012)

The molecular structure of the title compound with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3379333&req=5

Fap2: The molecular structure of the title compound with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
Bottom Line: 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 the other four ring atoms.

View Article: PubMed Central - HTML - PubMed

Affiliation: S. Yunusov Institute of the Chemistry of Plant Substances, Academy of Sciences of Uzbekistan, Mirzo Ulugbek Str. 77, Tashkent 100170, Uzbekistan.

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 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 the other four ring atoms.

No MeSH data available.


Related in: MedlinePlus