Dimercyclic synthon ring		Dimercatemer synthon
	2ABSACPR	BSAAZL	2ClBSAVLM	2ClBSACPR	OTSAVLM	PTSAVLM
Empirical formula	C6H8N2O2SC6H11NO	C6H7NO2SC7H13NO	C6H6ClNO2SC5H9NO	C6H6ClNO2SC6H11NO	C7H9NO2SC5 H9NO	C7H9NO2SC5 H9NO
Formula weight	285.37	284.36	290.77	304.80	270.35	270.35
Crystal system	Monoclinic	Monoclinic	Monoclinic	Monoclinic	Monoclinic	Triclinic
Space group	P21/n	P21/n	P21/c	P21/c	P21/n	P-1
T (K)	29(3)	298(3)	298(3)	298(3)	298(3)	298(3)
a ()	7.2731(4)	7.3020(9)	10.521(2)	9.8782(6)	5.3367(6)	5.210(3)
b ()	15.9052(10)	17.189(2)	13.7661(12)	14.1720(6)	15.9206(17)	8.449(4)
c ()	12.7766(6)	12.2835(16)	10.3407(16)	10.8753(6)	16.070(3)	16.104(8)
()	90	90	90	90	90	82.894(8)
()	99.291(5)	106.760(2)	116.31(2)	112.850(7)	98.308(12)	82.798(8)
()	90	90	90	90	90	81.772(8)
V (3)	1458.61(14)	1476.3(3)	1342.5(4)	1403.00(15)	1351.0	692.005
D calc (gcm3)	1.299	1.280	1.439	1.443	1.329	1.298
(mm1)	0.230	0.225	0.442	0.426	0.242	0.236
range	3.1228.72	2.9323.26	2.7326.37	2.8726.37	2.562.56	1.2826.37
Z/Z 1	4/1	4/1	4/1	4/1	4/1	2/1
h range	8 +8	8 +8	12 +13	12 +11	6 +6	6 +6
k range	16 +18	20 +20	15 +17	17 +16	19 +11	10 +10
l range	15 +14	14 +14	11 +12	13 + 10	14 +20	20 +19
Reflections collected	5525	13710	5058	5810	5072	7341
Total reflections	2488	2520	2731	2870	2759	2819
Observed reflections	1993	2154	2039	2483	1420	1969
R 1 [I > 2(I)]	0.0383	0.0597	0.0435	0.0385	0.0645	0.0504
wR 2 (all)	0.0995	0.1419	0.1144	0.1031	0.1183	0.1526
Goodness-of-fit	1.017	1.092	0.983	1.093	1.019	1.043
X-ray diffractmeter	Oxford Gemini	Bruker Smart Apex	Oxford Gemini	Oxford Gemini	Oxford Gemini	Bruker Smart Apex