Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229617007653/lg3205sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S2053229617007653/lg3205Isup2.hkl |
CCDC reference: 1551913
Data collection: SMART (Bruker, 2012); cell refinement: SMART (Bruker, 2012); data reduction: SAINT (Bruker, 2012); program(s) used to solve structure: SHELXT (Sheldrick, 2015a) and OLEX2 (Dolomanov et al., 2009); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015b) and OLEX2 (Dolomanov et al., 2009); molecular graphics: DIAMOND (Brandenburg, 2008); software used to prepare material for publication: publCIF (Westrip, 2010) and PLATON (Spek, 2009).
[Ag2(C7H3NO4)(C3H5N3S)3]·H2O·C2H6O | F(000) = 1576 |
Mr = 790.38 | Dx = 2.016 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
a = 8.3665 (4) Å | Cell parameters from 8981 reflections |
b = 23.1277 (11) Å | θ = 2.8–27.6° |
c = 13.5984 (7) Å | µ = 1.80 mm−1 |
β = 98.221 (1)° | T = 100 K |
V = 2604.2 (2) Å3 | Block, yellow |
Z = 4 | 0.22 × 0.20 × 0.18 mm |
Bruker SMART CCD area-detector diffractometer | 5458 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.018 |
phi and ω scans | θmax = 27.6°, θmin = 1.8° |
Absorption correction: multi-scan (SADABS; Bruker, 2012) | h = −6→10 |
Tmin = 0.705, Tmax = 0.728 | k = −30→29 |
15594 measured reflections | l = −16→16 |
5918 independent reflections |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.027 | Hydrogen site location: mixed |
wR(F2) = 0.065 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.09 | w = 1/[σ2(Fo2) + (0.0262P)2 + 4.0926P] where P = (Fo2 + 2Fc2)/3 |
5918 reflections | (Δ/σ)max = 0.001 |
337 parameters | Δρmax = 1.34 e Å−3 |
7 restraints | Δρmin = −0.82 e Å−3 |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
x | y | z | Uiso*/Ueq | ||
Ag1 | 0.31342 (2) | 0.12131 (2) | 0.21967 (2) | 0.01782 (6) | |
Ag2 | 0.26584 (2) | 0.26895 (2) | 0.20782 (2) | 0.01788 (6) | |
S1 | −0.04351 (9) | 0.17446 (3) | −0.07942 (5) | 0.01951 (14) | |
S2 | 0.82115 (8) | 0.22203 (3) | 0.17491 (6) | 0.02212 (15) | |
S3 | −0.01904 (10) | 0.18514 (4) | 0.46437 (6) | 0.02778 (16) | |
N1 | 0.5476 (3) | 0.17953 (10) | 0.19762 (17) | 0.0175 (5) | |
N2 | 0.5309 (3) | 0.23914 (9) | 0.20876 (18) | 0.0179 (5) | |
N3 | 0.6849 (3) | 0.32419 (11) | 0.2079 (2) | 0.0281 (6) | |
H3A | 0.603 (3) | 0.3452 (14) | 0.216 (3) | 0.034* | |
H3B | 0.781 (3) | 0.3381 (15) | 0.201 (3) | 0.034* | |
N4 | 0.1506 (3) | 0.22545 (10) | 0.33860 (17) | 0.0181 (5) | |
N5 | 0.1617 (3) | 0.16546 (10) | 0.33185 (17) | 0.0189 (5) | |
N6 | 0.0645 (4) | 0.08011 (12) | 0.3967 (2) | 0.0309 (6) | |
H6A | 0.026 (4) | 0.0638 (15) | 0.449 (2) | 0.037* | |
H6B | 0.096 (4) | 0.0587 (14) | 0.348 (2) | 0.037* | |
N7 | 0.1589 (3) | 0.21290 (9) | 0.06377 (17) | 0.0164 (4) | |
N8 | 0.1552 (3) | 0.15329 (9) | 0.07817 (17) | 0.0172 (5) | |
N9 | 0.0245 (3) | 0.07007 (10) | 0.00749 (18) | 0.0205 (5) | |
H9A | 0.050 (4) | 0.0502 (13) | 0.0639 (17) | 0.025* | |
H9B | −0.061 (3) | 0.0589 (14) | −0.033 (2) | 0.025* | |
N10 | 0.0586 (3) | 0.54262 (9) | 0.19787 (17) | 0.0156 (4) | |
O1 | 0.2551 (2) | 0.37189 (8) | 0.16865 (16) | 0.0248 (4) | |
O2 | 0.0125 (3) | 0.34120 (8) | 0.19185 (18) | 0.0310 (5) | |
O3 | 0.2492 (3) | 0.44391 (9) | 0.35920 (16) | 0.0290 (5) | |
O4 | 0.3729 (2) | 0.51789 (9) | 0.29542 (17) | 0.0285 (5) | |
C1 | 0.7371 (4) | 0.10357 (14) | 0.1620 (3) | 0.0308 (7) | |
H1A | 0.6515 | 0.0774 | 0.1766 | 0.046* | |
H1B | 0.8377 | 0.0944 | 0.2055 | 0.046* | |
H1C | 0.7531 | 0.0990 | 0.0925 | 0.046* | |
C2 | 0.6898 (3) | 0.16445 (12) | 0.1796 (2) | 0.0190 (5) | |
C3 | 0.6649 (3) | 0.26732 (12) | 0.1997 (2) | 0.0174 (5) | |
C4 | 0.0213 (4) | 0.30328 (13) | 0.4228 (2) | 0.0260 (6) | |
H4A | 0.0814 | 0.3289 | 0.3838 | 0.039* | |
H4B | 0.0516 | 0.3117 | 0.4937 | 0.039* | |
H4C | −0.0948 | 0.3097 | 0.4040 | 0.039* | |
C5 | 0.0604 (3) | 0.24235 (13) | 0.4031 (2) | 0.0211 (6) | |
C6 | 0.0783 (3) | 0.13841 (13) | 0.3920 (2) | 0.0210 (6) | |
C7 | 0.0401 (4) | 0.29227 (12) | −0.0412 (2) | 0.0236 (6) | |
H7A | −0.0682 | 0.3046 | −0.0307 | 0.035* | |
H7B | 0.0523 | 0.2974 | −0.1113 | 0.035* | |
H7C | 0.1212 | 0.3156 | 0.0003 | 0.035* | |
C8 | 0.0631 (3) | 0.23028 (11) | −0.01375 (19) | 0.0156 (5) | |
C9 | 0.0535 (3) | 0.12705 (11) | 0.01016 (19) | 0.0153 (5) | |
C10 | 0.1095 (3) | 0.38008 (11) | 0.1771 (2) | 0.0181 (5) | |
C11 | 0.0427 (3) | 0.44062 (11) | 0.16195 (19) | 0.0143 (5) | |
C12 | −0.0946 (3) | 0.44998 (12) | 0.0934 (2) | 0.0184 (5) | |
H12 | −0.1476 | 0.4184 | 0.0579 | 0.022* | |
C13 | −0.1540 (3) | 0.50573 (12) | 0.0768 (2) | 0.0196 (5) | |
H13 | −0.2474 | 0.5131 | 0.0300 | 0.023* | |
C14 | −0.0728 (3) | 0.55029 (12) | 0.1306 (2) | 0.0186 (5) | |
H14 | −0.1127 | 0.5885 | 0.1191 | 0.022* | |
C15 | 0.1163 (3) | 0.48839 (11) | 0.21378 (19) | 0.0141 (5) | |
C16 | 0.2591 (3) | 0.48240 (11) | 0.2964 (2) | 0.0177 (5) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ag1 | 0.01853 (11) | 0.01312 (10) | 0.02070 (11) | 0.00154 (7) | −0.00094 (8) | 0.00353 (8) |
Ag2 | 0.01827 (11) | 0.01277 (10) | 0.02191 (11) | 0.00216 (7) | 0.00051 (8) | −0.00142 (8) |
S1 | 0.0245 (3) | 0.0156 (3) | 0.0155 (3) | −0.0007 (3) | −0.0070 (3) | 0.0005 (3) |
S2 | 0.0139 (3) | 0.0261 (4) | 0.0271 (4) | −0.0035 (3) | 0.0051 (3) | −0.0011 (3) |
S3 | 0.0295 (4) | 0.0347 (4) | 0.0210 (4) | −0.0026 (3) | 0.0097 (3) | −0.0007 (3) |
N1 | 0.0173 (11) | 0.0159 (11) | 0.0197 (12) | 0.0000 (9) | 0.0038 (9) | 0.0005 (9) |
N2 | 0.0160 (11) | 0.0139 (11) | 0.0236 (12) | −0.0004 (8) | 0.0018 (9) | 0.0022 (9) |
N3 | 0.0290 (14) | 0.0201 (12) | 0.0359 (15) | −0.0058 (11) | 0.0075 (12) | 0.0002 (11) |
N4 | 0.0148 (11) | 0.0206 (12) | 0.0182 (12) | 0.0020 (9) | 0.0000 (9) | −0.0008 (9) |
N5 | 0.0182 (11) | 0.0181 (11) | 0.0199 (12) | −0.0004 (9) | 0.0006 (9) | 0.0007 (9) |
N6 | 0.0386 (16) | 0.0251 (14) | 0.0297 (15) | −0.0040 (12) | 0.0077 (12) | 0.0043 (11) |
N7 | 0.0183 (11) | 0.0114 (10) | 0.0181 (11) | 0.0001 (8) | −0.0017 (9) | 0.0013 (9) |
N8 | 0.0205 (11) | 0.0111 (10) | 0.0179 (11) | 0.0000 (9) | −0.0044 (9) | 0.0004 (9) |
N9 | 0.0245 (13) | 0.0148 (11) | 0.0191 (12) | −0.0029 (9) | −0.0070 (9) | −0.0002 (9) |
N10 | 0.0163 (11) | 0.0118 (10) | 0.0180 (11) | 0.0007 (8) | 0.0003 (8) | 0.0003 (8) |
O1 | 0.0244 (11) | 0.0165 (10) | 0.0331 (12) | 0.0063 (8) | 0.0030 (9) | 0.0015 (8) |
O2 | 0.0390 (13) | 0.0119 (9) | 0.0432 (14) | −0.0060 (9) | 0.0099 (10) | 0.0016 (9) |
O3 | 0.0268 (11) | 0.0323 (12) | 0.0246 (11) | 0.0014 (9) | −0.0074 (9) | 0.0081 (9) |
O4 | 0.0218 (11) | 0.0238 (11) | 0.0355 (12) | −0.0049 (8) | −0.0108 (9) | 0.0004 (9) |
C1 | 0.0291 (17) | 0.0258 (16) | 0.0396 (19) | 0.0036 (13) | 0.0122 (14) | −0.0013 (14) |
C2 | 0.0176 (13) | 0.0211 (13) | 0.0186 (13) | −0.0021 (11) | 0.0039 (10) | 0.0002 (11) |
C3 | 0.0156 (12) | 0.0196 (13) | 0.0164 (13) | −0.0012 (10) | 0.0008 (10) | 0.0017 (10) |
C4 | 0.0271 (16) | 0.0274 (16) | 0.0232 (15) | 0.0073 (12) | 0.0027 (12) | −0.0049 (12) |
C5 | 0.0202 (14) | 0.0269 (15) | 0.0148 (13) | 0.0018 (11) | −0.0024 (10) | −0.0032 (11) |
C6 | 0.0166 (13) | 0.0276 (15) | 0.0177 (13) | −0.0023 (11) | −0.0019 (10) | 0.0028 (11) |
C7 | 0.0331 (16) | 0.0160 (13) | 0.0189 (14) | −0.0004 (11) | −0.0064 (12) | 0.0028 (11) |
C8 | 0.0147 (12) | 0.0177 (13) | 0.0141 (12) | −0.0002 (10) | 0.0011 (9) | 0.0010 (10) |
C9 | 0.0171 (12) | 0.0158 (12) | 0.0126 (12) | 0.0012 (10) | 0.0012 (9) | 0.0000 (10) |
C10 | 0.0282 (15) | 0.0105 (12) | 0.0151 (13) | 0.0005 (10) | 0.0012 (11) | −0.0012 (10) |
C11 | 0.0164 (12) | 0.0118 (12) | 0.0147 (12) | −0.0014 (9) | 0.0027 (9) | 0.0006 (9) |
C12 | 0.0187 (13) | 0.0186 (13) | 0.0172 (13) | −0.0051 (10) | −0.0005 (10) | −0.0014 (10) |
C13 | 0.0140 (12) | 0.0237 (14) | 0.0195 (14) | 0.0018 (10) | −0.0028 (10) | 0.0030 (11) |
C14 | 0.0186 (13) | 0.0158 (13) | 0.0206 (14) | 0.0056 (10) | 0.0002 (10) | 0.0037 (10) |
C15 | 0.0151 (12) | 0.0126 (12) | 0.0143 (12) | 0.0002 (9) | 0.0014 (9) | −0.0012 (10) |
C16 | 0.0191 (13) | 0.0140 (12) | 0.0178 (13) | 0.0059 (10) | −0.0043 (10) | −0.0064 (10) |
Ag1—N8 | 2.296 (2) | N9—H9A | 0.894 (18) |
Ag1—N10i | 2.318 (2) | N9—H9B | 0.874 (18) |
Ag1—N5 | 2.352 (2) | N10—C14 | 1.338 (3) |
Ag1—N1 | 2.431 (2) | N10—C15 | 1.350 (3) |
Ag2—N2 | 2.320 (2) | N10—Ag1ii | 2.318 (2) |
Ag2—N4 | 2.365 (2) | O1—C10 | 1.255 (3) |
Ag2—N7 | 2.412 (2) | O2—C10 | 1.246 (3) |
Ag2—O1 | 2.4386 (19) | O3—C16 | 1.244 (3) |
S1—C8 | 1.741 (3) | O4—C16 | 1.259 (3) |
S1—C9 | 1.750 (3) | C1—C2 | 1.491 (4) |
S2—C2 | 1.733 (3) | C1—H1A | 0.9800 |
S2—C3 | 1.745 (3) | C1—H1B | 0.9800 |
S3—C6 | 1.740 (3) | C1—H1C | 0.9800 |
S3—C5 | 1.745 (3) | C4—C5 | 1.480 (4) |
N1—C2 | 1.296 (3) | C4—H4A | 0.9800 |
N1—N2 | 1.396 (3) | C4—H4B | 0.9800 |
N2—C3 | 1.318 (3) | C4—H4C | 0.9800 |
N3—C3 | 1.328 (4) | C7—C8 | 1.487 (4) |
N3—H3A | 0.864 (18) | C7—H7A | 0.9800 |
N3—H3B | 0.884 (18) | C7—H7B | 0.9800 |
N4—C5 | 1.297 (4) | C7—H7C | 0.9800 |
N4—N5 | 1.395 (3) | C10—C11 | 1.511 (3) |
N5—C6 | 1.308 (4) | C11—C12 | 1.389 (4) |
N6—C6 | 1.355 (4) | C11—C15 | 1.404 (3) |
N6—H6A | 0.901 (18) | C12—C13 | 1.389 (4) |
N6—H6B | 0.894 (18) | C12—H12 | 0.9500 |
N7—C8 | 1.294 (3) | C13—C14 | 1.384 (4) |
N7—N8 | 1.393 (3) | C13—H13 | 0.9500 |
N8—C9 | 1.312 (3) | C14—H14 | 0.9500 |
N9—C9 | 1.340 (3) | C15—C16 | 1.525 (3) |
N8—Ag1—N10i | 146.03 (8) | N1—C2—C1 | 123.8 (3) |
N8—Ag1—N5 | 95.96 (8) | N1—C2—S2 | 113.8 (2) |
N10i—Ag1—N5 | 106.36 (8) | C1—C2—S2 | 122.4 (2) |
N8—Ag1—N1 | 95.54 (8) | N2—C3—N3 | 125.4 (3) |
N10i—Ag1—N1 | 99.78 (8) | N2—C3—S2 | 113.1 (2) |
N5—Ag1—N1 | 111.02 (8) | N3—C3—S2 | 121.5 (2) |
N2—Ag2—N4 | 111.20 (8) | C5—C4—H4A | 109.5 |
N2—Ag2—N7 | 95.04 (8) | C5—C4—H4B | 109.5 |
N4—Ag2—N7 | 103.79 (8) | H4A—C4—H4B | 109.5 |
N2—Ag2—O1 | 107.25 (7) | C5—C4—H4C | 109.5 |
N4—Ag2—O1 | 124.98 (7) | H4A—C4—H4C | 109.5 |
N7—Ag2—O1 | 110.46 (7) | H4B—C4—H4C | 109.5 |
C8—S1—C9 | 87.42 (12) | N4—C5—C4 | 125.1 (3) |
C2—S2—C3 | 87.59 (13) | N4—C5—S3 | 113.1 (2) |
C6—S3—C5 | 87.71 (14) | C4—C5—S3 | 121.8 (2) |
C2—N1—N2 | 113.3 (2) | N5—C6—N6 | 124.2 (3) |
C2—N1—Ag1 | 130.69 (18) | N5—C6—S3 | 113.0 (2) |
N2—N1—Ag1 | 115.99 (16) | N6—C6—S3 | 122.7 (2) |
C3—N2—N1 | 112.2 (2) | C8—C7—H7A | 109.5 |
C3—N2—Ag2 | 132.68 (18) | C8—C7—H7B | 109.5 |
N1—N2—Ag2 | 113.80 (16) | H7A—C7—H7B | 109.5 |
C3—N3—H3A | 118 (2) | C8—C7—H7C | 109.5 |
C3—N3—H3B | 117 (2) | H7A—C7—H7C | 109.5 |
H3A—N3—H3B | 124 (3) | H7B—C7—H7C | 109.5 |
C5—N4—N5 | 113.3 (2) | N7—C8—C7 | 123.2 (2) |
C5—N4—Ag2 | 136.0 (2) | N7—C8—S1 | 113.6 (2) |
N5—N4—Ag2 | 109.59 (16) | C7—C8—S1 | 123.2 (2) |
C6—N5—N4 | 112.8 (2) | N8—C9—N9 | 124.8 (2) |
C6—N5—Ag1 | 125.70 (19) | N8—C9—S1 | 112.97 (19) |
N4—N5—Ag1 | 121.47 (16) | N9—C9—S1 | 122.2 (2) |
C6—N6—H6A | 120 (2) | O2—C10—O1 | 124.7 (2) |
C6—N6—H6B | 119 (2) | O2—C10—C11 | 117.0 (2) |
H6A—N6—H6B | 122 (3) | O1—C10—C11 | 118.2 (2) |
C8—N7—N8 | 113.5 (2) | C12—C11—C15 | 118.4 (2) |
C8—N7—Ag2 | 127.54 (18) | C12—C11—C10 | 119.4 (2) |
N8—N7—Ag2 | 115.52 (15) | C15—C11—C10 | 122.3 (2) |
C9—N8—N7 | 112.6 (2) | C11—C12—C13 | 119.8 (2) |
C9—N8—Ag1 | 132.80 (18) | C11—C12—H12 | 120.1 |
N7—N8—Ag1 | 114.49 (15) | C13—C12—H12 | 120.1 |
C9—N9—H9A | 118 (2) | C14—C13—C12 | 117.9 (2) |
C9—N9—H9B | 116 (2) | C14—C13—H13 | 121.0 |
H9A—N9—H9B | 117 (3) | C12—C13—H13 | 121.0 |
C14—N10—C15 | 118.2 (2) | N10—C14—C13 | 123.8 (2) |
C14—N10—Ag1ii | 120.29 (17) | N10—C14—H14 | 118.1 |
C15—N10—Ag1ii | 121.49 (17) | C13—C14—H14 | 118.1 |
C10—O1—Ag2 | 97.66 (16) | N10—C15—C11 | 122.0 (2) |
C2—C1—H1A | 109.5 | N10—C15—C16 | 115.3 (2) |
C2—C1—H1B | 109.5 | C11—C15—C16 | 122.6 (2) |
H1A—C1—H1B | 109.5 | O3—C16—O4 | 126.7 (2) |
C2—C1—H1C | 109.5 | O3—C16—C15 | 116.7 (2) |
H1A—C1—H1C | 109.5 | O4—C16—C15 | 116.6 (2) |
H1B—C1—H1C | 109.5 | ||
C2—N1—N2—C3 | −0.8 (3) | N8—N7—C8—C7 | 176.7 (2) |
Ag1—N1—N2—C3 | 177.41 (18) | Ag2—N7—C8—C7 | 18.9 (4) |
C2—N1—N2—Ag2 | 167.85 (19) | N8—N7—C8—S1 | −0.4 (3) |
Ag1—N1—N2—Ag2 | −14.0 (2) | Ag2—N7—C8—S1 | −158.19 (13) |
C5—N4—N5—C6 | 0.2 (3) | C9—S1—C8—N7 | 0.9 (2) |
Ag2—N4—N5—C6 | −169.88 (18) | C9—S1—C8—C7 | −176.2 (3) |
C5—N4—N5—Ag1 | 179.07 (18) | N7—N8—C9—N9 | −178.8 (3) |
Ag2—N4—N5—Ag1 | 9.0 (2) | Ag1—N8—C9—N9 | −3.4 (4) |
C8—N7—N8—C9 | −0.6 (3) | N7—N8—C9—S1 | 1.2 (3) |
Ag2—N7—N8—C9 | 160.06 (18) | Ag1—N8—C9—S1 | 176.65 (14) |
C8—N7—N8—Ag1 | −176.86 (18) | C8—S1—C9—N8 | −1.2 (2) |
Ag2—N7—N8—Ag1 | −16.2 (2) | C8—S1—C9—N9 | 178.8 (2) |
N2—N1—C2—C1 | −178.3 (3) | Ag2—O1—C10—O2 | −5.8 (3) |
Ag1—N1—C2—C1 | 3.9 (4) | Ag2—O1—C10—C11 | 178.3 (2) |
N2—N1—C2—S2 | 0.3 (3) | O2—C10—C11—C12 | −50.2 (4) |
Ag1—N1—C2—S2 | −177.51 (13) | O1—C10—C11—C12 | 125.9 (3) |
C3—S2—C2—N1 | 0.1 (2) | O2—C10—C11—C15 | 130.9 (3) |
C3—S2—C2—C1 | 178.7 (3) | O1—C10—C11—C15 | −52.9 (4) |
N1—N2—C3—N3 | −179.2 (3) | C15—C11—C12—C13 | 0.8 (4) |
Ag2—N2—C3—N3 | 15.1 (4) | C10—C11—C12—C13 | −178.1 (2) |
N1—N2—C3—S2 | 0.9 (3) | C11—C12—C13—C14 | −0.3 (4) |
Ag2—N2—C3—S2 | −164.92 (14) | C15—N10—C14—C13 | 0.5 (4) |
C2—S2—C3—N2 | −0.6 (2) | Ag1ii—N10—C14—C13 | 178.6 (2) |
C2—S2—C3—N3 | 179.4 (3) | C12—C13—C14—N10 | −0.4 (4) |
N5—N4—C5—C4 | −177.3 (3) | C14—N10—C15—C11 | 0.1 (4) |
Ag2—N4—C5—C4 | −10.8 (4) | Ag1ii—N10—C15—C11 | −177.95 (18) |
N5—N4—C5—S3 | 0.8 (3) | C14—N10—C15—C16 | −176.0 (2) |
Ag2—N4—C5—S3 | 167.31 (15) | Ag1ii—N10—C15—C16 | 6.0 (3) |
C6—S3—C5—N4 | −1.2 (2) | C12—C11—C15—N10 | −0.8 (4) |
C6—S3—C5—C4 | 176.9 (2) | C10—C11—C15—N10 | 178.1 (2) |
N4—N5—C6—N6 | 177.4 (3) | C12—C11—C15—C16 | 175.0 (2) |
Ag1—N5—C6—N6 | −1.4 (4) | C10—C11—C15—C16 | −6.1 (4) |
N4—N5—C6—S3 | −1.1 (3) | N10—C15—C16—O3 | 130.6 (3) |
Ag1—N5—C6—S3 | −179.95 (12) | C11—C15—C16—O3 | −45.5 (4) |
C5—S3—C6—N5 | 1.3 (2) | N10—C15—C16—O4 | −47.6 (3) |
C5—S3—C6—N6 | −177.2 (3) | C11—C15—C16—O4 | 136.3 (3) |
Symmetry codes: (i) −x+1/2, y−1/2, −z+1/2; (ii) −x+1/2, y+1/2, −z+1/2. |
D—H···A | D—H | H···A | D···A | D—H···A |
N3—H3B···O2iii | 0.88 (3) | 1.96 (3) | 2.808 (4) | 161 (3) |
N6—H6B···O4i | 0.90 (3) | 2.22 (3) | 3.092 (4) | 166 (3) |
N9—H9A···O4i | 0.89 (3) | 2.07 (2) | 2.953 (3) | 170 (3) |
N9—H9B···O3iv | 0.88 (3) | 2.00 (3) | 2.854 (3) | 164 (3) |
Symmetry codes: (i) −x+1/2, y−1/2, −z+1/2; (iii) x+1, y, z; (iv) x−1/2, −y+1/2, z−1/2. |