Table 1.  Crystal data and structure refinement for me0r.
Identification code 	me0r
Empirical formula 	C10 H16 N8 O2
Formula weight 	280.31
Temperature 	158(2) K
Wavelength 	0.71073 Å
Crystal system 	Orthorhombic
Space group 	Pna2(1)
Unit cell dimensions	a = 11.416(3) Å	?= 90°.
	b = 14.876(4) Å	?= 90°.
	c = 7.9735(16) Å	? = 90°.
Volume	1354.1(6) Å3
Z	4
Density (calculated)	1.375 Mg/m3
Absorption coefficient	0.102 mm-1
F(000)	592
Crystal size	0.60 x 0.30 x 0.11 mm3
Theta range for data collection	2.25 to 23.27°.
Index ranges	-12<=h<=11, -16<=k<=16, -4<=l<=8
Reflections collected	4429
Independent reflections	1470 [R(int) = 0.1242]
Completeness to theta = 23.27°	98.8 % 
Max. and min. transmission	0.9888 and 0.9411
Refinement method	Full-matrix least-squares on F2
Data / restraints / parameters	1470 / 1 / 181
Goodness-of-fit on F2	0.988
Final R indices [I>2sigma(I)]	R1 = 0.0336, wR2 = 0.0733
R indices (all data)	R1 = 0.0387, wR2 = 0.0747
Absolute structure parameter	0.7(19)
Largest diff. peak and hole	0.347 and -0.165 e.Å-3

 Table 2.  Atomic coordinates  ( x 104) and equivalent  isotropic displacement parameters (Å2x 103)
for me0r.  U(eq) is defined as one third of  the trace of the orthogonalized Uij tensor.
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	x	y	z	U(eq)
________________________________________________________________________________  
N(1)	2381(2)	5421(2)	5160(3)	30(1)
N(2)	2395(2)	5046(2)	6685(3)	29(1)
N(3)	3228(2)	4444(2)	6890(3)	40(1)
N(4)	3797(2)	4399(2)	5432(3)	38(1)
C(5)	3261(2)	5001(2)	4415(4)	28(1)
C(6)	3647(2)	5170(2)	2661(4)	36(1)
C(7)	3709(2)	4327(2)	1613(4)	38(1)
O(8)	2557(1)	3959(1)	1492(3)	36(1)
C(9)	2543(3)	3103(2)	721(4)	41(1)
C(10)	1352(2)	2687(2)	1046(4)	42(1)
C(11)	1137(2)	2540(2)	2874(4)	31(1)
N(12)	1904(2)	2126(2)	3904(3)	43(1)
N(13)	1409(2)	2118(2)	5404(3)	40(1)
N(14)	385(2)	2509(2)	5213(3)	30(1)
N(15)	168(2)	2795(2)	3678(3)	32(1)
C(16)	-437(2)	2621(2)	6614(4)	33(1)
C(17)	-640(2)	3570(2)	7028(4)	38(1)
O(18)	416(1)	3978(1)	7482(3)	39(1)
C(19)	345(2)	4947(2)	7563(4)	35(1)
C(20)	1558(2)	5274(2)	8026(3)	31(1)
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 Table 3.   Bond lengths [Å] and angles [°] for  me0r.
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N(1)-C(5) 	1.324(3)
N(1)-N(2) 	1.337(3)
N(2)-N(3) 	1.316(3)
N(2)-C(20) 	1.474(3)
N(3)-N(4) 	1.334(3)
N(4)-C(5) 	1.355(4)
C(5)-C(6) 	1.487(4)
C(6)-C(7) 	1.509(4)
C(7)-O(8) 	1.428(3)
O(8)-C(9) 	1.415(4)
C(9)-C(10) 	1.516(4)
C(10)-C(11) 	1.494(4)
C(11)-N(15) 	1.333(3)
C(11)-N(12) 	1.350(4)
N(12)-N(13) 	1.323(4)
N(13)-N(14) 	1.314(3)
N(14)-N(15) 	1.319(3)
N(14)-C(16) 	1.468(4)
C(16)-C(17) 	1.468(4)
C(17)-O(18) 	1.398(3)
O(18)-C(19) 	1.444(4)
C(19)-C(20) 	1.513(4)

C(5)-N(1)-N(2)	101.7(2)
N(3)-N(2)-N(1)	113.9(2)
N(3)-N(2)-C(20)	122.3(2)
N(1)-N(2)-C(20)	123.8(2)
N(2)-N(3)-N(4)	106.2(2)
N(3)-N(4)-C(5)	105.5(2)
N(1)-C(5)-N(4)	112.7(2)
N(1)-C(5)-C(6)	124.5(3)
N(4)-C(5)-C(6)	122.7(2)
C(5)-C(6)-C(7)	113.2(3)
O(8)-C(7)-C(6)	108.2(2)
C(9)-O(8)-C(7)	112.7(2)
O(8)-C(9)-C(10)	107.6(2)
C(11)-C(10)-C(9)	112.0(3)
N(15)-C(11)-N(12)	112.0(3)
N(15)-C(11)-C(10)	124.3(3)
N(12)-C(11)-C(10)	123.7(3)
N(13)-N(12)-C(11)	106.1(2)
N(14)-N(13)-N(12)	105.8(2)
N(13)-N(14)-N(15)	114.6(2)
N(13)-N(14)-C(16)	122.1(2)
N(15)-N(14)-C(16)	123.3(2)
N(14)-N(15)-C(11)	101.5(2)
C(17)-C(16)-N(14)	112.4(2)
O(18)-C(17)-C(16)	109.9(2)
C(17)-O(18)-C(19)	113.4(2)
O(18)-C(19)-C(20)	106.3(2)
N(2)-C(20)-C(19)	110.0(2)
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Symmetry transformations used to generate equivalent atoms: 
 

 Table 4.   Anisotropic displacement parameters  (Å2x 103) for me0r.  The anisotropic
displacement factor exponent takes the form:  -2?2[ h2 a*2U11 + ...  + 2 h k a* b* U12 ]
______________________________________________________________________________ 
	U11	U22 	U33	U23	U13	U12
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N(1)	33(1) 	25(1)	33(2) 	6(1)	2(1) 	0(1)
N(2)	32(1) 	24(1)	31(2) 	2(1)	-2(1) 	-1(1)
N(3)	40(1) 	41(2)	40(2) 	5(1)	-2(1) 	11(1)
N(4)	37(1) 	44(2)	32(2) 	6(2)	3(1) 	9(1)
C(5)	26(1) 	27(2)	32(2) 	6(2)	2(1) 	-6(1)
C(6)	34(1) 	36(2)	38(2) 	5(2)	3(1) 	-1(1)
C(7)	32(1) 	45(2)	36(2) 	8(2)	6(1) 	3(1)
O(8)	36(1) 	35(1)	36(1) 	1(1)	6(1) 	5(1)
C(9)	51(2) 	40(2)	32(2) 	2(2)	9(1) 	7(2)
C(10)	53(2) 	37(2)	38(2) 	-9(2)	5(1) 	1(2)
C(11)	36(1) 	25(2)	31(2) 	1(1)	-1(1) 	1(1)
N(12)	44(1) 	43(2)	43(2) 	9(2)	12(1) 	11(1)
N(13)	38(1) 	36(2)	46(2) 	11(2)	3(1) 	7(1)
N(14)	30(1) 	23(1)	36(2) 	1(1)	0(1) 	-2(1)
N(15)	33(1) 	29(1)	34(2) 	0(1)	-6(1) 	2(1)
C(16)	33(1) 	35(2)	31(2) 	-3(2)	1(1) 	-6(1)
C(17)	40(1) 	36(2)	37(2) 	2(2)	3(1) 	0(1)
O(18)	37(1) 	29(1)	50(1) 	-4(1)	-2(1) 	1(1)
C(19)	39(1) 	26(2)	39(2) 	-6(2)	8(1) 	1(1)
C(20)	40(1) 	27(2)	27(2) 	-3(1)	3(1) 	2(1)
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 Table 5.   Hydrogen coordinates ( x 104) and isotropic  displacement parameters (Å2x 10 3)
for me0r.
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	x 	y 	z 	U(eq)
________________________________________________________________________________ 
 
H(6A)	4429	5457	2681	43
H(6B)	3095	5597	2127	43
H(7A)	4013	4470	481	45
H(7B)	4244	3887	2143	45
H(9A)	3168	2718	1197	50
H(9B)	2678	3163	-501	50
H(10A)	736	3088	592	51
H(10B)	1299	2105	451	51
H(16A)	-1193	2336	6318	39
H(16B)	-123	2308	7614	39
H(17A)	-979	3883	6046	45
H(17B)	-1204	3614	7967	45
H(19A)	-232	5134	8420	41
H(19B)	104	5196	6465	41
H(20A)	1543	5933	8193	37
H(20B)	1809	4990	9090	37
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