Crystal data |
Chemical formula |
C14H13N3O4
|
C22H22N4O4
|
C15H13N3O2
|
C15H16N2O4S |
M
r
|
287.27 |
406.44 |
267.28 |
320.36 |
Crystal system, space group |
Triclinic, P
|
Triclinic, P
|
Monoclinic, P21/n
|
Tetragonal, I41/a
|
Temperature (K) |
100 |
100 |
100 |
100 |
a, b, c (Å) |
7.235 (2), 7.282 (2), 13.512 (4) |
8.1121 (7), 10.1819 (8), 13.1018 (11) |
7.4871 (5), 16.270 (1), 10.8432 (7) |
20.4639 (13), 20.4639 (13), 14.3952 (14) |
α, β, γ (°) |
88.714 (5), 85.131 (5), 67.239 (5) |
93.466 (1), 106.595 (1), 106.932 (1) |
90, 94.384 (1), 90 |
90, 90, 90 |
V (Å3) |
654.0 (4) |
979.88 (14) |
1317.00 (15) |
6028.3 (10) |
Z
|
2 |
2 |
4 |
16 |
Radiation type |
Mo Kα |
Mo Kα |
Mo Kα |
Mo Kα |
μ (mm−1) |
0.11 |
0.10 |
0.09 |
0.24 |
Crystal size (mm) |
0.20 × 0.10 × 0.02 |
0.20 × 0.10 × 0.05 |
0.40 × 0.20 × 0.10 |
0.40 × 0.20 × 0.20 |
|
Data collection |
Diffractometer |
Bruker APEX DUO CCD area-detector diffractometer |
Bruker APEX DUO CCD area-detector diffractometer |
Bruker APEX DUO CCD area-detector diffractometer |
Bruker APEX DUO CCD area-detector diffractometer |
Absorption correction |
Multi-scan (SADABS; Sheldrick, 1996 ▶) |
Multi-scan (SADABS; Sheldrick, 1996 ▶) |
Multi-scan (SADABS; Sheldrick, 1996 ▶) |
Multi-scan (SADABS; Sheldrick, 1996 ▶) |
T
min, T
max
|
0.978, 0.998 |
0.981, 0.995 |
0.964, 0.991 |
0.912, 0.955 |
No. of measured, independent and observed [I > 2σ(I)] reflections |
9039, 3158, 2288 |
17364, 6868, 5289 |
23007, 4732, 4189 |
52424, 5524, 5155 |
R
int
|
0.027 |
0.018 |
0.018 |
0.018 |
(sin θ/λ)max (Å−1) |
0.661 |
0.767 |
0.765 |
0.765 |
|
Refinement |
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.040, 0.104, 1.03 |
0.043, 0.121, 1.03 |
0.038, 0.113, 1.04 |
0.029, 0.086, 1.06 |
No. of reflections |
3158 |
6868 |
4732 |
5524 |
No. of parameters |
242 |
359 |
233 |
263 |
H-atom treatment |
All H-atom parameters refined |
All H-atom parameters refined |
All H-atom parameters refined |
All H-atom parameters refined |
Δρmax, Δρmin (e Å−3) |
0.29, −0.26 |
0.57, −0.21 |
0.56, −0.20 |
0.51, −0.31 |