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3-Chloro-1-methyl-4-[2-(3-phenyl-allyl-idene)hydrazinyl-idene]-3,4-dihydro-1H-2λ(6),1-benzothia-zine-2,2-dione.

Shafiq M, Tahir MN, Harrison WT, Khan IU, Shafique S - Acta Crystallogr Sect E Struct Rep Online (2013)

Bottom Line: In the title compound, C(18)H(16)ClN(3)O(2)S, the dihedral angle between the aromatic rings is 4.81 (2)° and the alkyl chain takes on an extended conformation [N-C-C-C = 179.2 (4)°].The conformation of the thia-zine ring is an envelope, with the S atom displaced by -0.805 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.046 Å).The Cl atom is an axial conformation and is displaced by 1.761 (4) Å from the thia-zine ring plane.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Government College University, Faisalabad 38000, Pakistan.

ABSTRACT
In the title compound, C(18)H(16)ClN(3)O(2)S, the dihedral angle between the aromatic rings is 4.81 (2)° and the alkyl chain takes on an extended conformation [N-C-C-C = 179.2 (4)°]. The conformation of the thia-zine ring is an envelope, with the S atom displaced by -0.805 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.046 Å). The Cl atom is an axial conformation and is displaced by 1.761 (4) Å from the thia-zine ring plane. In the crystal, inversion dimers linked by pairs of C-H⋯O inter-actions generate R(2) (2)(20) loops and further C-H⋯O hydrogen bonds link the dimers into (001) sheets. Weak aromatic π-π stacking inter-actions [centroid-centroid separations = 3.870 (3) and 3.883 (3) Å] are also observed.

No MeSH data available.


Related in: MedlinePlus

The molecular structure of (I), showing displacement ellipsoids at the 50% probability level.
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Fap1: The molecular structure of (I), showing displacement ellipsoids at the 50% probability level.


3-Chloro-1-methyl-4-[2-(3-phenyl-allyl-idene)hydrazinyl-idene]-3,4-dihydro-1H-2λ(6),1-benzothia-zine-2,2-dione.

Shafiq M, Tahir MN, Harrison WT, Khan IU, Shafique S - Acta Crystallogr Sect E Struct Rep Online (2013)

The molecular structure of (I), showing displacement ellipsoids at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3569230&req=5

Fap1: The molecular structure of (I), showing displacement ellipsoids at the 50% probability level.
Bottom Line: In the title compound, C(18)H(16)ClN(3)O(2)S, the dihedral angle between the aromatic rings is 4.81 (2)° and the alkyl chain takes on an extended conformation [N-C-C-C = 179.2 (4)°].The conformation of the thia-zine ring is an envelope, with the S atom displaced by -0.805 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.046 Å).The Cl atom is an axial conformation and is displaced by 1.761 (4) Å from the thia-zine ring plane.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Government College University, Faisalabad 38000, Pakistan.

ABSTRACT
In the title compound, C(18)H(16)ClN(3)O(2)S, the dihedral angle between the aromatic rings is 4.81 (2)° and the alkyl chain takes on an extended conformation [N-C-C-C = 179.2 (4)°]. The conformation of the thia-zine ring is an envelope, with the S atom displaced by -0.805 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.046 Å). The Cl atom is an axial conformation and is displaced by 1.761 (4) Å from the thia-zine ring plane. In the crystal, inversion dimers linked by pairs of C-H⋯O inter-actions generate R(2) (2)(20) loops and further C-H⋯O hydrogen bonds link the dimers into (001) sheets. Weak aromatic π-π stacking inter-actions [centroid-centroid separations = 3.870 (3) and 3.883 (3) Å] are also observed.

No MeSH data available.


Related in: MedlinePlus