Logo

4-Amino-N-thiazol-2-ylidenebenzene-sulfonamide (form III)

Sample Originator: Terence L. Threlfalla.

Data Collection: Ann L. Binghama

Structure Determination: Ann L. Binghama and Thomas Gelbricha.

University of Southamptona

C9H9N3O2S2

InChI=1/2C9H10N3O2S2/c2*10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h2*1-6,11-12H,10H2

Identification Number:10.5258/ecrystals/397
Date Created:20 January 2004
Deposited On:18 Apr 2008 13:53
Deposited By:Dr Thomas Gelbrich

Depositor Comments

Form III of sulfathiazole; Hydrogen atoms attached to N were refined with restrained distances [N-H = 0.88(2) Ang].

Data collection parameters

Chemical formulaC9 H9 N3 O2 S2
Crystal morphology
Crystal systemmonoclinic
Space group symbolP21/c
Cell length a17.448(3)
Cell length b8.498(2)
Cell length c15.511(3)
Cell angle alpha90.00
Cell angle beta112.81(3)
Cell angle gamma90.00
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0485
R Factor (All)0.1024
Weighted R Factor (Obs)0.0946
Weighted R Factor (All)0.1072

Citation: Bingham, Ann L. and Gelbrich, Thomas and Threlfall, Terence L. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/397)
Export as: oreChem EndNote BibTeX ASCII Citation

Available Files

Final Result

99ale005.cif18k
99ale005.cml6k
99ale005.fcf183k

Validation

99ale005_checkcif.htm9k

Refinement

99ale005.res7k

Processing

99ale005.hkl524k

Other Files

99ale005.inchi2k
99ale005.ins7k
99ale005.mol4k
99ale005_ellipsoid.gif21k

Repository Staff Only: item control page