cu_20230614_ZM_BJ_303

Table 1 Crystal data and structure refinement for cu_20230614_ZM_BJ_303_UP.
Identification code	cu_20230614_ZM_BJ_303_UP
Empirical formula	C₁₇H₂₂N₂O₃
Formula weight	302.36
Temperature/K	243.00
Crystal system	orthorhombic
Space group	Fdd2
a/Å	17.4203(4)
b/Å	42.9305(13)
c/Å	8.1319(2)
α/°	90
β/°	90
γ/°	90
Volume/Å³	6081.5(3)
Z	16
ρ_calcg/cm³	1.321
μ/mm^‑1	0.737
F(000)	2592.0
Crystal size/mm³	0.13 × 0.12 × 0.11
Radiation	CuKα (λ = 1.54178)
2Θ range for data collection/°	8.238 to 136.534
Index ranges	-20 ≤ h ≤ 20, -51 ≤ k ≤ 51, -9 ≤ l ≤ 8
Reflections collected	45205
Independent reflections	2740 [R_int = 0.0402, R_sigma = 0.0164]
Data/restraints/parameters	2740/1/202
Goodness-of-fit on F²	1.074
Final R indexes [I>=2σ (I)]	R₁ = 0.0299, wR₂ = 0.0842
Final R indexes [all data]	R₁ = 0.0305, wR₂ = 0.0848
Largest diff. peak/hole / e Å^-3	0.39/-0.18
Flack parameter	0.06(5)

Table 2 Fractional Atomic Coordinates (×10⁴) and Equivalent Isotropic Displacement Parameters (Å²×10³) for cu_20230614_ZM_BJ_303_UP. U_eq is defined as 1/3 of the trace of the orthogonalised U_IJ tensor.
Atom	x	y	z	U(eq)
O1	9074.7(9)	3465.2(4)	3092(2)	28.9(4)
N1	5131.4(10)	3158.1(4)	5958(2)	26.1(4)
C1	6349.7(14)	2380.9(5)	7429(3)	35.7(6)
N2	7286.6(10)	3023.2(4)	2784(2)	27.9(4)
O2	7804.1(10)	3956.7(4)	7716(2)	38.9(4)
C2	5808.8(14)	2494.2(6)	8515(3)	32.6(5)
C3	5373.8(12)	2758.7(5)	8140(3)	28.2(5)
O3	5123.4(9)	3416.7(4)	3501(2)	39.0(4)
C4	5509.8(12)	2900.6(5)	6652(3)	23.7(4)
C5	6475.1(13)	2527.9(5)	5918(3)	31.2(5)
C6	6060.2(12)	2791.2(5)	5544(3)	24.3(4)
C7	6073.2(12)	3001.9(5)	4066(3)	25.5(5)
C8	5388.7(12)	3217.8(5)	4418(3)	26.2(5)
C9	6039.1(13)	2835.7(6)	2371(3)	34.0(6)
C10	6761.7(14)	2938.6(7)	1449(3)	39.2(6)
C11	6812.8(12)	3206.3(5)	3903(2)	22.8(5)
C12	7252.8(11)	3283.0(5)	5455(3)	22.5(4)
C13	7948.8(13)	3205.5(6)	2238(3)	31.6(5)
C14	8441.8(11)	3288.1(5)	3720(3)	24.9(5)
C15	7984.8(11)	3466.4(5)	5020(3)	22.6(4)
C16	8495.6(12)	3528.8(6)	6532(3)	29.1(5)
C17	8121.5(14)	3650.8(6)	8035(3)	36.4(6)

Table 2 Fractional Atomic Coordinates (×10⁴) and Equivalent Isotropic Displacement Parameters (Å²×10³) for cu_20230614_ZM_BJ_303_UP. U_eq is defined as 1/3 of the trace of the orthogonalised U_IJ tensor.

Atom

U(eq)

9074.7(9)

3465.2(4)

3092(2)

28.9(4)

5131.4(10)

3158.1(4)

5958(2)

26.1(4)

6349.7(14)

2380.9(5)

7429(3)

35.7(6)

7286.6(10)

3023.2(4)

2784(2)

27.9(4)

7804.1(10)

3956.7(4)

7716(2)

38.9(4)

5808.8(14)

2494.2(6)

8515(3)

32.6(5)

5373.8(12)

2758.7(5)

8140(3)

28.2(5)

5123.4(9)

3416.7(4)

3501(2)

39.0(4)

5509.8(12)

2900.6(5)

6652(3)

23.7(4)

6475.1(13)

2527.9(5)

5918(3)

31.2(5)

6060.2(12)

2791.2(5)

5544(3)

24.3(4)

6073.2(12)

3001.9(5)

4066(3)

25.5(5)

5388.7(12)

3217.8(5)

4418(3)

26.2(5)

6039.1(13)

2835.7(6)

2371(3)

34.0(6)

C10

6761.7(14)

2938.6(7)

1449(3)

39.2(6)

C11

6812.8(12)

3206.3(5)

3903(2)

22.8(5)

C12

7252.8(11)

3283.0(5)

5455(3)

22.5(4)

C13

7948.8(13)

3205.5(6)

2238(3)

31.6(5)

C14

8441.8(11)

3288.1(5)

3720(3)

24.9(5)

C15

7984.8(11)

3466.4(5)

5020(3)

22.6(4)

C16

8495.6(12)

3528.8(6)

6532(3)

29.1(5)

C17

8121.5(14)

3650.8(6)

8035(3)

36.4(6)

Table 3 Anisotropic Displacement Parameters (Å²×10³) for cu_20230614_ZM_BJ_303_UP. The Anisotropic displacement factor exponent takes the form: -2π²[h²a*²U₁₁+2hka*b*U₁₂+…].
Atom	U₁₁	U₂₂	U₃₃	U₂₃	U₁₃	U₁₂
O1	19.8(7)	38.0(8)	28.9(9)	-1.9(7)	5.3(6)	-5.8(6)
N1	22.0(8)	33.9(9)	22.4(9)	-0.5(7)	4.7(7)	3.0(7)
C1	35.7(13)	25.3(11)	46.2(15)	1.8(10)	-1.4(11)	-0.4(9)
N2	22.0(9)	37.7(10)	24.1(10)	-10.9(8)	6.0(7)	-6.4(7)
O2	30.9(8)	52.9(11)	32.8(9)	-15.7(8)	-2.0(7)	9.6(7)
C2	38.9(12)	31.2(11)	27.6(12)	3.3(9)	-3.9(10)	-6.9(10)
C3	27.8(11)	34.7(11)	22.2(12)	-3.9(9)	3.1(9)	-5.3(9)
O3	27.7(8)	57.2(11)	32.1(9)	14.4(8)	-1.2(7)	3.9(8)
C4	20.1(9)	28.3(10)	22.6(11)	-4.2(8)	-1.6(8)	-4.3(8)
C5	26.5(11)	28.9(11)	38.3(13)	-5.0(10)	5.1(10)	-2.0(9)
C6	19.8(10)	29.1(10)	24.0(11)	-4.3(9)	1.1(8)	-7.1(8)
C7	19.8(10)	34.0(11)	22.6(11)	-3.7(9)	1.7(8)	-4.9(9)
C8	17.7(10)	37.3(12)	23.5(12)	1.7(9)	-1.6(9)	-3.6(8)
C9	27.6(12)	50.0(14)	24.3(12)	-10.2(10)	3.9(9)	-12.7(10)
C10	30.8(12)	60.9(17)	25.8(13)	-14.2(11)	6.8(10)	-15.8(11)
C11	18.0(9)	29.7(11)	20.7(11)	-1.3(9)	2.2(8)	-2.1(8)
C12	20.5(10)	27.8(10)	19.2(10)	-1.9(8)	2.5(8)	0.3(8)
C13	23.9(11)	45.0(13)	25.9(12)	-9.7(9)	10.0(9)	-6.7(9)
C14	17.4(9)	28.2(10)	29.2(12)	-2.5(9)	4.7(9)	-1.2(8)
C15	18.8(9)	24.4(10)	24.6(11)	-1.7(8)	0.1(8)	-0.4(8)
C16	22.7(11)	33.1(11)	31.3(12)	-2.9(9)	-4.4(9)	1.2(9)
C17	30.2(12)	50.5(15)	28.6(13)	-2.2(10)	-3.2(10)	-4.1(10)

Table 3 Anisotropic Displacement Parameters (Å²×10³) for cu_20230614_ZM_BJ_303_UP. The Anisotropic displacement factor exponent takes the form: -2π²[h²a*²U₁₁+2hka*b*U₁₂+…].

Atom

U₁₁

U₂₂

U₃₃

U₂₃

U₁₃

U₁₂

19.8(7)

38.0(8)

28.9(9)

-1.9(7)

5.3(6)

-5.8(6)

22.0(8)

33.9(9)

22.4(9)

-0.5(7)

4.7(7)

3.0(7)

35.7(13)

25.3(11)

46.2(15)

1.8(10)

-1.4(11)

-0.4(9)

22.0(9)

37.7(10)

24.1(10)

-10.9(8)

6.0(7)

-6.4(7)

30.9(8)

52.9(11)

32.8(9)

-15.7(8)

-2.0(7)

9.6(7)

38.9(12)

31.2(11)

27.6(12)

3.3(9)

-3.9(10)

-6.9(10)

27.8(11)

34.7(11)

22.2(12)

-3.9(9)

3.1(9)

-5.3(9)

27.7(8)

57.2(11)

32.1(9)

14.4(8)

-1.2(7)

3.9(8)

20.1(9)

28.3(10)

22.6(11)

-4.2(8)

-1.6(8)

-4.3(8)

26.5(11)

28.9(11)

38.3(13)

-5.0(10)

5.1(10)

-2.0(9)

19.8(10)

29.1(10)

24.0(11)

-4.3(9)

1.1(8)

-7.1(8)

19.8(10)

34.0(11)

22.6(11)

-3.7(9)

1.7(8)

-4.9(9)

17.7(10)

37.3(12)

23.5(12)

1.7(9)

-1.6(9)

-3.6(8)

27.6(12)

50.0(14)

24.3(12)

-10.2(10)

3.9(9)

-12.7(10)

C10

30.8(12)

60.9(17)

25.8(13)

-14.2(11)

6.8(10)

-15.8(11)

C11

18.0(9)

29.7(11)

20.7(11)

-1.3(9)

2.2(8)

-2.1(8)

C12

20.5(10)

27.8(10)

19.2(10)

-1.9(8)

2.5(8)

0.3(8)

C13

23.9(11)

45.0(13)

25.9(12)

-9.7(9)

10.0(9)

-6.7(9)

C14

17.4(9)

28.2(10)

29.2(12)

-2.5(9)

4.7(9)

-1.2(8)

C15

18.8(9)

24.4(10)

24.6(11)

-1.7(8)

0.1(8)

-0.4(8)

C16

22.7(11)

33.1(11)

31.3(12)

-2.9(9)

-4.4(9)

1.2(9)

C17

30.2(12)

50.5(15)

28.6(13)

-2.2(10)

-3.2(10)

-4.1(10)

Table 4 Bond Lengths for cu_20230614_ZM_BJ_303_UP.
Atom	Atom	Length/Å	Atom	Atom	Length/Å
O1	C14	1.434(2)	C5	C6	1.376(3)
N1	C4	1.405(3)	C6	C7	1.504(3)
N1	C8	1.355(3)	C7	C8	1.537(3)
C1	C2	1.380(4)	C7	C9	1.554(3)
C1	C5	1.398(4)	C7	C11	1.565(3)
N2	C10	1.465(3)	C9	C10	1.530(3)
N2	C11	1.458(3)	C11	C12	1.513(3)
N2	C13	1.463(3)	C12	C15	1.540(3)
O2	C17	1.448(3)	C13	C14	1.522(3)
C2	C3	1.399(3)	C14	C15	1.529(3)
C3	C4	1.375(3)	C15	C16	1.541(3)
O3	C8	1.224(3)	C16	C17	1.481(3)
C4	C6	1.397(3)

Table 4 Bond Lengths for cu_20230614_ZM_BJ_303_UP.

Atom

Length/Å

Atom

Length/Å

C14

1.434(2)

1.376(3)

1.405(3)

1.504(3)

1.355(3)

1.537(3)

1.380(4)

1.554(3)

1.398(4)

C11

1.565(3)

C10

1.465(3)

C10

1.530(3)

C11

1.458(3)

C11

C12

1.513(3)

C13

1.463(3)

C12

C15

1.540(3)

C17

1.448(3)

C13

C14

1.522(3)

1.399(3)

C14

C15

1.529(3)

1.375(3)

C15

C16

1.541(3)

1.224(3)

C16

C17

1.481(3)

1.397(3)

Table 5 Bond Angles for cu_20230614_ZM_BJ_303_UP.
Atom	Atom	Atom	Angle/˚	Atom	Atom	Atom	Angle/˚
C8	N1	C4	111.40(18)	C9	C7	C11	102.34(17)
C2	C1	C5	120.6(2)	N1	C8	C7	108.33(18)
C11	N2	C10	104.05(17)	O3	C8	N1	124.7(2)
C11	N2	C13	110.34(17)	O3	C8	C7	126.9(2)
C13	N2	C10	113.55(19)	C10	C9	C7	105.70(18)
C1	C2	C3	121.1(2)	N2	C10	C9	102.84(19)
C4	C3	C2	117.3(2)	N2	C11	C7	102.52(16)
C3	C4	N1	128.4(2)	N2	C11	C12	110.54(16)
C3	C4	C6	122.5(2)	C12	C11	C7	117.94(17)
C6	C4	N1	109.11(19)	C11	C12	C15	109.81(17)
C6	C5	C1	118.9(2)	N2	C13	C14	109.18(19)
C4	C6	C7	108.85(18)	O1	C14	C13	105.97(18)
C5	C6	C4	119.6(2)	O1	C14	C15	112.40(16)
C5	C6	C7	131.5(2)	C13	C14	C15	111.74(17)
C6	C7	C8	101.68(17)	C12	C15	C16	112.54(18)
C6	C7	C9	115.61(18)	C14	C15	C12	109.51(16)
C6	C7	C11	114.68(18)	C14	C15	C16	109.75(17)
C8	C7	C9	114.36(19)	C17	C16	C15	117.77(19)
C8	C7	C11	108.44(17)	O2	C17	C16	109.9(2)

Table 5 Bond Angles for cu_20230614_ZM_BJ_303_UP.

Atom

Angle/˚

Atom

Angle/˚

111.40(18)

C11

102.34(17)

120.6(2)

108.33(18)

C11

C10

104.05(17)

124.7(2)

C11

C13

110.34(17)

126.9(2)

C13

C10

113.55(19)

C10

105.70(18)

121.1(2)

C10

102.84(19)

117.3(2)

C11

102.52(16)

128.4(2)

C11

C12

110.54(16)

122.5(2)

C12

C11

117.94(17)

109.11(19)

C11

C12

C15

109.81(17)

118.9(2)

C13

C14

109.18(19)

108.85(18)

C14

C13

105.97(18)

119.6(2)

C14

C15

112.40(16)

131.5(2)

C13

C14

C15

111.74(17)

101.68(17)

C12

C15

C16

112.54(18)

115.61(18)

C14

C15

C12

109.51(16)

C11

114.68(18)

C14

C15

C16

109.75(17)

114.36(19)

C17

C16

C15

117.77(19)

C11

108.44(17)

C17

C16

109.9(2)

Table 6 Torsion Angles for cu_20230614_ZM_BJ_303_UP.
A	B	C	D	Angle/˚	A	B	C	D	Angle/˚
O1	C14	C15	C12	171.93(17)	C7	C9	C10	N2	24.3(3)
O1	C14	C15	C16	-64.1(2)	C7	C11	C12	C15	176.30(17)
N1	C4	C6	C5	-176.30(19)	C8	N1	C4	C3	-175.6(2)
N1	C4	C6	C7	3.3(2)	C8	N1	C4	C6	2.0(2)
C1	C2	C3	C4	-0.2(3)	C8	C7	C9	C10	120.4(2)
C1	C5	C6	C4	-1.8(3)	C8	C7	C11	N2	-151.20(17)
C1	C5	C6	C7	178.6(2)	C8	C7	C11	C12	87.2(2)
N2	C11	C12	C15	58.9(2)	C9	C7	C8	N1	133.14(19)
N2	C13	C14	O1	180.00(17)	C9	C7	C8	O3	-48.6(3)
N2	C13	C14	C15	-57.3(2)	C9	C7	C11	N2	-30.0(2)
C2	C1	C5	C6	1.2(4)	C9	C7	C11	C12	-151.64(19)
C2	C3	C4	N1	176.9(2)	C10	N2	C11	C7	47.3(2)
C2	C3	C4	C6	-0.4(3)	C10	N2	C11	C12	173.82(18)
C3	C4	C6	C5	1.5(3)	C10	N2	C13	C14	178.44(19)
C3	C4	C6	C7	-178.87(19)	C11	N2	C10	C9	-44.9(2)
C4	N1	C8	O3	175.3(2)	C11	N2	C13	C14	62.1(2)
C4	N1	C8	C7	-6.4(2)	C11	C7	C8	N1	-113.39(19)
C4	C6	C7	C8	-6.6(2)	C11	C7	C8	O3	64.9(3)
C4	C6	C7	C9	-131.1(2)	C11	C7	C9	C10	3.4(2)
C4	C6	C7	C11	110.1(2)	C11	C12	C15	C14	-52.9(2)
C5	C1	C2	C3	-0.2(4)	C11	C12	C15	C16	-175.25(17)
C5	C6	C7	C8	173.0(2)	C12	C15	C16	C17	-47.5(3)
C5	C6	C7	C9	48.5(3)	C13	N2	C10	C9	-164.9(2)
C5	C6	C7	C11	-70.3(3)	C13	N2	C11	C7	169.40(19)
C6	C7	C8	N1	7.8(2)	C13	N2	C11	C12	-64.0(2)
C6	C7	C8	O3	-173.9(2)	C13	C14	C15	C12	52.9(2)
C6	C7	C9	C10	-122.0(2)	C13	C14	C15	C16	176.94(18)
C6	C7	C11	N2	96.0(2)	C14	C15	C16	C17	-169.7(2)
C6	C7	C11	C12	-25.7(3)	C15	C16	C17	O2	-64.0(3)

Table 6 Torsion Angles for cu_20230614_ZM_BJ_303_UP.

Angle/˚

C14

C15

C12

171.93(17)

C10

24.3(3)

C14

C15

C16

-64.1(2)

C11

C12

C15

176.30(17)

-176.30(19)

-175.6(2)

3.3(2)

2.0(2)

-0.2(3)

C10

120.4(2)

-1.8(3)

C11

-151.20(17)

178.6(2)

C11

C12

87.2(2)

C11

C12

C15

58.9(2)

133.14(19)

C13

C14

180.00(17)

-48.6(3)

C13

C14

C15

-57.3(2)

C11

-30.0(2)

1.2(4)

C11

C12

-151.64(19)

176.9(2)

C10

C11

47.3(2)

-0.4(3)

C10

C11

C12

173.82(18)

1.5(3)

C10

C13

C14

178.44(19)

-178.87(19)

C11

C10

-44.9(2)

175.3(2)

C11

C13

C14

62.1(2)

-6.4(2)

C11

-113.39(19)

-6.6(2)

C11

64.9(3)

-131.1(2)

C11

C10

3.4(2)

C11

110.1(2)

C11

C12

C15

C14

-52.9(2)

-0.2(4)

C11

C12

C15

C16

-175.25(17)

173.0(2)

C12

C15

C16

C17

-47.5(3)

48.5(3)

C13

C10

-164.9(2)

C11

-70.3(3)

C13

C11

169.40(19)

7.8(2)

C13

C11

C12

-64.0(2)

-173.9(2)

C13

C14

C15

C12

52.9(2)

C10

-122.0(2)

C13

C14

C15

C16

176.94(18)

C11

96.0(2)

C14

C15

C16

C17

-169.7(2)

C11

C12

-25.7(3)

C15

C16

C17

-64.0(3)

Table 7 Hydrogen Atom Coordinates (Å×10⁴) and Isotropic Displacement Parameters (Å²×10³) for cu_20230614_ZM_BJ_303_UP.
Atom	x	y	z	U(eq)
H1	9409.74	3481.28	3813.06	43
H1A	4776.94	3265.51	6454.51	31
H1B	6636.7	2203.11	7707.28	43
H2	7717.57	4046.19	8601.44	58
H2A	5731.41	2391.94	9523.25	39
H3	5003.67	2836.27	8874.75	34
H5	6836.87	2448.16	5170.87	37
H9A	6034.06	2608.99	2512.52	41
H9B	5577.02	2897.63	1766.13	41
H10A	6971.31	2768.3	783.89	47
H10B	6655.95	3117.45	735.72	47
H11	6673.38	3403.8	3349.88	27
H12A	7391.48	3090.12	6027.37	27
H12B	6929.78	3407.44	6191.18	27
H13A	7773.9	3396.25	1691.87	38
H13B	8251.19	3084.4	1447.6	38
H14	8640.68	3093.5	4216.11	30
H15	7830.14	3669.42	4546.73	27
H16A	8753.27	3333.37	6820.78	35
H16B	8895.34	3677.02	6205.59	35
H17A	7711.29	3508.86	8379.92	44
H17B	8498.13	3663.83	8927.97	44

Table 7 Hydrogen Atom Coordinates (Å×10⁴) and Isotropic Displacement Parameters (Å²×10³) for cu_20230614_ZM_BJ_303_UP.

Atom

U(eq)

9409.74

3481.28

3813.06

H1A

4776.94

3265.51

6454.51

H1B

6636.7

2203.11

7707.28

7717.57

4046.19

8601.44

H2A

5731.41

2391.94

9523.25

5003.67

2836.27

8874.75

6836.87

2448.16

5170.87

H9A

6034.06

2608.99

2512.52

H9B

5577.02

2897.63

1766.13

H10A

6971.31

2768.3

783.89

H10B

6655.95

3117.45

735.72

H11

6673.38

3403.8

3349.88

H12A

7391.48

3090.12

6027.37

H12B

6929.78

3407.44

6191.18

H13A

7773.9

3396.25

1691.87

H13B

8251.19

3084.4

1447.6

H14

8640.68

3093.5

4216.11

H15

7830.14

3669.42

4546.73

H16A

8753.27

3333.37

6820.78

H16B

8895.34

3677.02

6205.59

H17A

7711.29

3508.86

8379.92

H17B

8498.13

3663.83

8927.97

Experimental

Single crystals of C₁₇H₂₂N₂O₃ [cu_20230614_ZM_BJ_303_UP] were []. A suitable crystal was selected and [] on a Bruker D8 VENTURE diffractometer. The crystal was kept at 243.00 K during data collection. Using Olex2 [1], the structure was solved with the olex2.solve [2] structure solution program using Charge Flipping and refined with the olex2.refine [3] refinement package using Gauss-Newton minimisation.

Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H. (2009), J. Appl. Cryst. 42, 339-341.
Bourhis, L.J., Dolomanov, O.V., Gildea, R.J., Howard, J.A.K., Puschmann, H. (2015). Acta Cryst. A71, 59-75.
Bourhis, L.J., Dolomanov, O.V., Gildea, R.J., Howard, J.A.K., Puschmann, H. (2015). Acta Cryst. A71, 59-75.

Crystal structure determination of [cu_20230614_ZM_BJ_303_UP]

Crystal Data for C₁₇H₂₂N₂O₃ (M =302.36 g/mol): orthorhombic, space group Fdd2 (no. 43), a = 17.4203(4) Å, b = 42.9305(13) Å, c = 8.1319(2) Å, V = 6081.5(3) Å³, Z = 16, T = 243.00 K, μ(CuKα) = 0.737 mm^-1, Dcalc = 1.321 g/cm³, 45205 reflections measured (8.238° ≤ 2Θ ≤ 136.534°), 2740 unique (R_int = 0.0402, R_sigma = 0.0164) which were used in all calculations. The final R₁ was 0.0299 (I > 2σ(I)) and wR₂ was 0.0848 (all data).

Refinement model description

Number of restraints - 1, number of constraints - unknown.

Details:

1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C11(H11), C14(H14), C15(H15)
2.b Secondary CH2 refined with riding coordinates:
 C9(H9a,H9b), C10(H10a,H10b), C12(H12a,H12b), C13(H13a,H13b), C16(H16a,H16b),
 C17(H17a,H17b)
2.c Aromatic/amide H refined with riding coordinates:
 N1(H1a), C1(H1b), C2(H2a), C3(H3), C5(H5)
2.d Idealised tetrahedral OH refined as rotating group:
 O1(H1), O2(H2)

This report has been created with Olex2, compiled on 2023.03.06 svn.rbb2c1857 for OlexSys. Please let us know if there are any errors or if you would like to have additional features.