p-aminobenzenesulfonamide-5-bromopyridine

Sample Originator: Terry L Threlfall, Simon J. Coles, Michael B. Hursthouse and Suzanna C Ward.

C₁₁H₁₀BrN₃O₂S

InChI=1/C11H10BrN3O2S.C11H9BrN3O2S.H/c2*12-8-1-6-11(14-7-8)15-18(16,17)10-4-2-9(13)3-5-10;/h1-7H,13H2,(H,14,15);1-7H,13H2;

Identification Number:	10.5258/ecrystals/174
Controlled Keywords:	Structural systematics, sulfonamide, sulfur drugs
Date Created:	14 February 1999
Deposited On:	21 Jan 2008 15:29
Deposited By:	A.N. Admin

Data collection parameters

Chemical formula	C11 H10 Br N3 O2 S
Crystal morphology
Crystal system	Triclinic
Space group symbol	P-1
Cell length a	9.933(2)
Cell length b	11.528(2)
Cell length c	12.703(3)
Cell angle alpha	115.74(3)
Cell angle beta	100.11(3)
Cell angle gamma	95.54(3)
Data collection temperature	150(2)

Refinement results

Solution figure of merit
R Factor (Obs)	0.0416
R Factor (All)	0.0665
Weighted R Factor (Obs)	0.0935
Weighted R Factor (All)	0.1050

Citation: Threlfall, Terry L and Coles, Simon J. and Hursthouse, Michael B. and Ward, Suzanna C (1999) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/174)
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