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Crystal structure of (R)-6'-bromo-3,3-dimethyl-3',4'-di-hydro-2'H-spiro-[cyclo-hexane-1,3'-1,2,4-benzo-thia-diazine] 1',1'-dioxide.

Shinoj Kumar PP, Suchetan PA, Sreenivasa S, Naveen S, Lokanath NK, Aruna Kumar DB - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: In the title compound, C14H19BrN2O2S, the 1,2,4-thia-diazinane ring adopts an envelope conformation with the N atom (attached to the sulfonyl group) as the flap, while the cyclo-hexane ring adopts a chair conformation.The mean plane of the cyclo-hexane ring is almost normal to the benzene ring and the mean plane of the 1,2,4-thia-diazinane ring, making dihedral angles of 70.4 (2) and 71.43 (19)°, respectively.Furthermore, the dihedral angle between the benzene ring and the mean plane of the 1,2,4-thia-diazinane ring is 4.91 (18)°.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Studies and Research in Chemistry, Tumkur University, Tumkur 572 103, India.

ABSTRACT
In the title compound, C14H19BrN2O2S, the 1,2,4-thia-diazinane ring adopts an envelope conformation with the N atom (attached to the sulfonyl group) as the flap, while the cyclo-hexane ring adopts a chair conformation. The mean plane of the cyclo-hexane ring is almost normal to the benzene ring and the mean plane of the 1,2,4-thia-diazinane ring, making dihedral angles of 70.4 (2) and 71.43 (19)°, respectively. Furthermore, the dihedral angle between the benzene ring and the mean plane of the 1,2,4-thia-diazinane ring is 4.91 (18)°. The mol-ecular structure is stabilized by an intra-molecular C-H⋯O hydrogen bond, which encloses an S(6) ring motif. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds into chains along [10-1], forming a C(6) graph-set motif. These chains are inter-connected via C-H⋯π inter-actions, leading to chains along [-101], so finally forming sheets parallel to (010).

No MeSH data available.


Related in: MedlinePlus

A view along the a axis of the crystal packing of the title compound. Hydrogen bonds are shown as thin blue lines (see Table 1 ▶ for details; H atoms not involved in hydrogen bonding have been omitted for clarity).
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fig2: A view along the a axis of the crystal packing of the title compound. Hydrogen bonds are shown as thin blue lines (see Table 1 ▶ for details; H atoms not involved in hydrogen bonding have been omitted for clarity).

Mentions: In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds (Table 1 ▶ and Fig. 2 ▶), forming chains with a C(6) graph-set motif along [10]. The chains are linked via structure-directing C—H⋯π inter­actions, leading to the formation of C(6) chains along [01]. These inter­actions lead to the formation of sheets parallel to (010) (Table 1 ▶ and Fig. 2 ▶).


Crystal structure of (R)-6'-bromo-3,3-dimethyl-3',4'-di-hydro-2'H-spiro-[cyclo-hexane-1,3'-1,2,4-benzo-thia-diazine] 1',1'-dioxide.

Shinoj Kumar PP, Suchetan PA, Sreenivasa S, Naveen S, Lokanath NK, Aruna Kumar DB - Acta Crystallogr Sect E Struct Rep Online (2014)

A view along the a axis of the crystal packing of the title compound. Hydrogen bonds are shown as thin blue lines (see Table 1 ▶ for details; H atoms not involved in hydrogen bonding have been omitted for clarity).
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257282&req=5

fig2: A view along the a axis of the crystal packing of the title compound. Hydrogen bonds are shown as thin blue lines (see Table 1 ▶ for details; H atoms not involved in hydrogen bonding have been omitted for clarity).
Mentions: In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds (Table 1 ▶ and Fig. 2 ▶), forming chains with a C(6) graph-set motif along [10]. The chains are linked via structure-directing C—H⋯π inter­actions, leading to the formation of C(6) chains along [01]. These inter­actions lead to the formation of sheets parallel to (010) (Table 1 ▶ and Fig. 2 ▶).

Bottom Line: In the title compound, C14H19BrN2O2S, the 1,2,4-thia-diazinane ring adopts an envelope conformation with the N atom (attached to the sulfonyl group) as the flap, while the cyclo-hexane ring adopts a chair conformation.The mean plane of the cyclo-hexane ring is almost normal to the benzene ring and the mean plane of the 1,2,4-thia-diazinane ring, making dihedral angles of 70.4 (2) and 71.43 (19)°, respectively.Furthermore, the dihedral angle between the benzene ring and the mean plane of the 1,2,4-thia-diazinane ring is 4.91 (18)°.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Studies and Research in Chemistry, Tumkur University, Tumkur 572 103, India.

ABSTRACT
In the title compound, C14H19BrN2O2S, the 1,2,4-thia-diazinane ring adopts an envelope conformation with the N atom (attached to the sulfonyl group) as the flap, while the cyclo-hexane ring adopts a chair conformation. The mean plane of the cyclo-hexane ring is almost normal to the benzene ring and the mean plane of the 1,2,4-thia-diazinane ring, making dihedral angles of 70.4 (2) and 71.43 (19)°, respectively. Furthermore, the dihedral angle between the benzene ring and the mean plane of the 1,2,4-thia-diazinane ring is 4.91 (18)°. The mol-ecular structure is stabilized by an intra-molecular C-H⋯O hydrogen bond, which encloses an S(6) ring motif. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds into chains along [10-1], forming a C(6) graph-set motif. These chains are inter-connected via C-H⋯π inter-actions, leading to chains along [-101], so finally forming sheets parallel to (010).

No MeSH data available.


Related in: MedlinePlus