Methyl (4-bromo-benzene-sulfonamido)acetate

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Benzothiazines are important heterocyclic compounds with diverse applications.
• Understanding the synthesis of benzothiazine precursors is essential for developing new derivatives.
• Crystal structure analysis provides fundamental insights into molecular interactions and material properties.

Purpose of the Study:

• To characterize the crystal structure of the title compound, C(9)H(10)BrNO(4)S.
• To elucidate the intermolecular interactions governing the compound's solid-state arrangement.
• To establish the role of this compound as an intermediate in benzothiazine formation.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of hydrogen bonding networks (N-H⋯O and C-H⋯O) was performed.
• The compound's chemical formula (C(9)H(10)BrNO(4)S) was confirmed.

Main Results:

• The crystal structure exhibits intermolecular N-H⋯O hydrogen bonds, forming R(2)(2)(10) ring motifs.
• These motifs are further linked by intermolecular C-H⋯O hydrogen bonds.
• A two-dimensional polymeric sheet structure was observed, driven by these hydrogen bonding interactions.

Conclusions:

• The title compound serves as a key intermediate for benzothiazine synthesis.
• The identified hydrogen bonding patterns dictate the formation of extended polymeric structures.
• This structural understanding can guide the design of novel benzothiazine-based materials.