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

Sample Originator: Terence L. Threlfall^a.

Data Collection: Ann E. Bingham^a

Structure Determination: David S. Hughes^a.

University of Southampton^a

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/401
Date Created:	20 January 2004
Deposited On:	18 Apr 2008 14:27
Deposited By:	Dr Thomas Gelbrich

Depositor Comments

Form I of sulfathiazole

Data collection parameters

Chemical formula	C9 H9 N3 O2 S2
Crystal morphology
Crystal system	Monoclinic
Space group symbol	P21/c
Cell length a	10.534(2)
Cell length b	12.936(3)
Cell length c	17.191(3)
Cell angle alpha	90.00
Cell angle beta	107.77(3)
Cell angle gamma	90.00
Data collection temperature	150(2)

Refinement results

Solution figure of merit
R Factor (Obs)	0.0400
R Factor (All)	0.0646
Weighted R Factor (Obs)	0.0917
Weighted R Factor (All)	0.1016

Citation: Bingham, Ann E. and Hughes, David S. and Threlfall, Terence L. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/401)
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Available Files

Final Result

00ale002.cif	18k
00ale002.cml	6k
00ale002.fcf	194k

698k

Other Files

00ale002.inchi	2k
00ale002.ins	7k
00ale002.mol	4k
00ale002_ellipsoid.gif	22k
shelxl.lst	40k

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