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

Sample Originator: Terence L. Threlfalla.

Data Collection: Ann L. Binghama

Structure Determination: Ann L. Binghama and David S. Hughesa.

University of Southamptona

C9H9N3O2S2

InChI=1/C9H10N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6,11-12H,10H2

Identification Number:10.5258/ecrystals/398
Date Created:20 January 2004
Deposited On:18 Apr 2008 14:09
Deposited By:Dr Thomas Gelbrich

Data collection parameters

Chemical formulaC9 H9 N3 O2 S2
Crystal morphology
Crystal systemmonoclinic
Space group symbolP21/c
Cell length a8.193(2)
Cell length b8.538(2)
Cell length c15.437(3)
Cell angle alpha90.00
Cell angle beta94.01(3)
Cell angle gamma90.00
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0310
R Factor (All)0.0335
Weighted R Factor (Obs)0.0812
Weighted R Factor (All)0.0827

Citation: Bingham, Ann L. and Hughes, David S. and Threlfall, Terence L. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/398)
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