In the title organic–inorganic salt, [CrCl
2(tn)
2]
2[Cr
2O
7] (tn is propane-1,3-diamine), the Cr
III ions are coordinated by four N atoms from two tn ligands and two chloride ions in a
trans geometry, displaying a distorted octahedral arrangement. The crystal packing is stabilized by N—H

Cl and N—H

O hydrogen bonds.
Supporting information
CCDC reference: 1498083
Key indicators
- Single-crystal synchrotron study
- T = 253 K
- Mean
(C-C) = 0.004 Å
- Disorder in main residue
- R factor = 0.037
- wR factor = 0.105
- Data-to-parameter ratio = 17.9
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full value Low . 0.961 Note
PLAT213_ALERT_2_C Atom O3SA has ADP max/min Ratio ..... 3.3 prolat
PLAT242_ALERT_2_C Low 'MainMol' Ueq as Compared to Neighbors of Cr2 Check
PLAT420_ALERT_2_C D-H Without Acceptor N2 -- H2B ... Please Check
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2B .. O2SB .. 2.63 Ang.
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 103 Report
Alert level G
ABSMU01_ALERT_1_G Calculation of _exptl_absorpt_correction_mu
not performed for this radiation type.
PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 4 Report
PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 8 Report
PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ Please Check
PLAT066_ALERT_1_G Predicted and Reported Tmin&Tmax Range Identical ? Check
PLAT171_ALERT_4_G The CIF-Embedded .res File Contains EADP Records 1 Report
PLAT186_ALERT_4_G The CIF-Embedded .res File Contains ISOR Records 2 Report
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cr2 -- O2SB .. 14.0 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cr2 -- O3SB .. 20.0 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cr2 -- O4SB .. 13.5 s.u.
PLAT300_ALERT_4_G Atom Site Occupancy of >O2SA is Constrained at 0.7 Check
PLAT300_ALERT_4_G Atom Site Occupancy of >O3SA is Constrained at 0.7 Check
PLAT300_ALERT_4_G Atom Site Occupancy of >O4SA is Constrained at 0.7 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <O1SA is Constrained at 0.35 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <O1SB is Constrained at 0.15 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <O2SB is Constrained at 0.3 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <O3SB is Constrained at 0.3 Check
PLAT300_ALERT_4_G Atom Site Occupancy of <O4SB is Constrained at 0.3 Check
PLAT301_ALERT_3_G Main Residue Disorder ............ Percentage = 31 Note
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 8 Note
PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) . 1.17 Ratio
PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 24 Note
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 60 Note
PLAT913_ALERT_3_G Missing # of Very Strong Reflections in FCF .... 1 Note
PLAT933_ALERT_2_G Number of OMIT records in Embedded RES ......... 3 Note
PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density 2 Note
0 ALERT level A = Most likely a serious problem - resolve or explain
0 ALERT level B = A potentially serious problem, consider carefully
6 ALERT level C = Check. Ensure it is not caused by an omission or oversight
26 ALERT level G = General information/check it is not something unexpected
3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
9 ALERT type 2 Indicator that the structure model may be wrong or deficient
5 ALERT type 3 Indicator that the structure quality may be low
14 ALERT type 4 Improvement, methodology, query or suggestion
1 ALERT type 5 Informative message, check
Data collection: PAL BL2D-SMDC Program (Shin et al., 2016); cell refinement: HKL3000sm (Otwinowski & Minor, 1997); data reduction: HKL3000sm (Otwinowski & Minor, 1997); program(s) used to solve structure: SHELXT2014 (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015b); molecular graphics: DIAMOND 4 (Putz & Brandenburg, 2014); software used to prepare material for publication: publCIF (Westrip, 2010).
Bis[
trans-dichloridobis(propane-1,3-diamine-
κ2N,
N')chromium(III)]dichromate
top
Crystal data top
[CrCl2(C3H10N2)2]2[Cr2O7] | F(000) = 776 |
Mr = 758.32 | Dx = 1.738 Mg m−3 |
Monoclinic, P21/c | Synchrotron radiation, λ = 0.610 Å |
a = 6.5240 (13) Å | Cell parameters from 48108 reflections |
b = 17.350 (4) Å | θ = 0.4–33.7° |
c = 12.901 (3) Å | µ = 1.22 mm−1 |
β = 97.18 (3)° | T = 253 K |
V = 1448.8 (5) Å3 | Plate, green |
Z = 2 | 0.13 × 0.10 × 0.09 mm |
Data collection top
ADSC Q210 CCD area detector diffractometer | 3059 reflections with I > 2σ(I) |
Radiation source: PLSII 2D bending magnet | Rint = 0.019 |
ω scan | θmax = 24.0°, θmin = 1.7° |
Absorption correction: empirical (using intensity measurements) (HKL3000sm SCALEPACK; Otwinowski & Minor, 1997) | h = −8→8 |
Tmin = 0.862, Tmax = 0.897 | k = −23→23 |
13070 measured reflections | l = −16→16 |
3438 independent reflections | |
Refinement top
Refinement on F2 | Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.037 | w = 1/[σ2(Fo2) + (0.0617P)2 + 0.9892P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.105 | (Δ/σ)max = 0.001 |
S = 1.10 | Δρmax = 0.67 e Å−3 |
3438 reflections | Δρmin = −0.96 e Å−3 |
192 parameters | Extinction correction: SHELXL2014 (Sheldrick, 2015b), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
24 restraints | Extinction coefficient: 0.025 (3) |
Special details top
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Cr1 | 0.49736 (4) | 0.22092 (2) | 0.64090 (2) | 0.01917 (12) | |
Cl1 | 0.74178 (8) | 0.17096 (3) | 0.54341 (5) | 0.03402 (16) | |
Cl2 | 0.26188 (9) | 0.27054 (4) | 0.74422 (5) | 0.04056 (18) | |
N1 | 0.4818 (3) | 0.11569 (11) | 0.71701 (16) | 0.0333 (4) | |
H1A | 0.6004 | 0.1094 | 0.7584 | 0.040* | |
H1B | 0.3827 | 0.1194 | 0.7583 | 0.040* | |
N2 | 0.2575 (3) | 0.18582 (11) | 0.52655 (15) | 0.0281 (4) | |
H2A | 0.1386 | 0.1968 | 0.5504 | 0.034* | |
H2B | 0.2639 | 0.2150 | 0.4704 | 0.034* | |
N3 | 0.5108 (4) | 0.32459 (11) | 0.56009 (17) | 0.0355 (4) | |
H3A | 0.5997 | 0.3180 | 0.5138 | 0.043* | |
H3B | 0.3871 | 0.3320 | 0.5238 | 0.043* | |
N4 | 0.7385 (3) | 0.25541 (12) | 0.75231 (14) | 0.0288 (4) | |
H4A | 0.7266 | 0.2293 | 0.8107 | 0.035* | |
H4B | 0.8559 | 0.2404 | 0.7301 | 0.035* | |
C1 | 0.4434 (4) | 0.04454 (13) | 0.6542 (2) | 0.0386 (5) | |
H1C | 0.4386 | 0.0009 | 0.7008 | 0.046* | |
H1D | 0.5571 | 0.0364 | 0.6137 | 0.046* | |
C2 | 0.2426 (4) | 0.04817 (15) | 0.5807 (2) | 0.0420 (6) | |
H2C | 0.2113 | −0.0029 | 0.5524 | 0.050* | |
H2D | 0.1319 | 0.0629 | 0.6204 | 0.050* | |
C3 | 0.2471 (4) | 0.10400 (14) | 0.4914 (2) | 0.0355 (5) | |
H3C | 0.3660 | 0.0928 | 0.4557 | 0.043* | |
H3D | 0.1241 | 0.0967 | 0.4418 | 0.043* | |
C4 | 0.5687 (5) | 0.39723 (14) | 0.6173 (2) | 0.0429 (6) | |
H4C | 0.4614 | 0.4110 | 0.6596 | 0.051* | |
H4D | 0.5799 | 0.4385 | 0.5676 | 0.051* | |
C5 | 0.7716 (4) | 0.38861 (15) | 0.6867 (2) | 0.0419 (6) | |
H5A | 0.8729 | 0.3674 | 0.6456 | 0.050* | |
H5B | 0.8194 | 0.4393 | 0.7104 | 0.050* | |
C6 | 0.7610 (4) | 0.33802 (15) | 0.78056 (19) | 0.0366 (5) | |
H6A | 0.8857 | 0.3449 | 0.8291 | 0.044* | |
H6B | 0.6446 | 0.3538 | 0.8156 | 0.044* | |
Cr2 | 1.00840 (7) | 0.57351 (2) | 0.59016 (4) | 0.03941 (15) | |
O1SA | 1.0285 (19) | 0.4915 (6) | 0.5165 (9) | 0.064 (2) | 0.35 |
O2SA | 0.7745 (6) | 0.5919 (3) | 0.6061 (3) | 0.0760 (12) | 0.7 |
O3SA | 1.1407 (11) | 0.6446 (3) | 0.5675 (4) | 0.099 (2) | 0.7 |
O4SA | 1.1024 (7) | 0.5391 (3) | 0.7046 (3) | 0.0930 (16) | 0.7 |
O1SB | 1.0285 (19) | 0.4915 (6) | 0.5165 (9) | 0.064 (2) | 0.15 |
O2SB | 0.937 (2) | 0.6545 (9) | 0.5161 (12) | 0.112 (4) | 0.3 |
O3SB | 0.932 (3) | 0.5716 (9) | 0.6899 (13) | 0.118 (4) | 0.3 |
O4SB | 1.239 (2) | 0.6098 (8) | 0.5919 (11) | 0.089 (4) | 0.3 |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Cr1 | 0.01447 (17) | 0.02308 (18) | 0.0206 (2) | −0.00022 (10) | 0.00483 (11) | 0.00014 (11) |
Cl1 | 0.0215 (3) | 0.0465 (3) | 0.0364 (3) | −0.0014 (2) | 0.0128 (2) | −0.0111 (2) |
Cl2 | 0.0256 (3) | 0.0509 (4) | 0.0486 (4) | −0.0003 (2) | 0.0181 (2) | −0.0147 (3) |
N1 | 0.0381 (11) | 0.0329 (9) | 0.0292 (10) | −0.0018 (8) | 0.0055 (8) | 0.0069 (7) |
N2 | 0.0188 (8) | 0.0314 (9) | 0.0331 (10) | 0.0013 (7) | −0.0005 (7) | −0.0009 (7) |
N3 | 0.0473 (12) | 0.0274 (9) | 0.0316 (11) | −0.0024 (8) | 0.0036 (8) | 0.0026 (7) |
N4 | 0.0233 (8) | 0.0405 (10) | 0.0225 (9) | −0.0040 (7) | 0.0022 (6) | −0.0018 (7) |
C1 | 0.0441 (14) | 0.0248 (10) | 0.0466 (15) | 0.0000 (9) | 0.0042 (11) | 0.0077 (9) |
C2 | 0.0361 (13) | 0.0321 (12) | 0.0574 (17) | −0.0112 (10) | 0.0040 (11) | −0.0004 (11) |
C3 | 0.0301 (11) | 0.0350 (11) | 0.0392 (13) | −0.0029 (9) | −0.0040 (9) | −0.0075 (9) |
C4 | 0.0559 (16) | 0.0247 (11) | 0.0493 (16) | −0.0052 (10) | 0.0117 (12) | −0.0018 (10) |
C5 | 0.0447 (14) | 0.0348 (12) | 0.0488 (16) | −0.0144 (10) | 0.0165 (11) | −0.0086 (10) |
C6 | 0.0339 (12) | 0.0461 (13) | 0.0306 (13) | −0.0121 (10) | 0.0081 (9) | −0.0142 (10) |
Cr2 | 0.0402 (3) | 0.0366 (2) | 0.0431 (3) | −0.00926 (16) | 0.01182 (18) | −0.01372 (16) |
O1SA | 0.072 (7) | 0.044 (5) | 0.074 (7) | 0.000 (3) | 0.000 (4) | −0.029 (4) |
O2SA | 0.052 (2) | 0.108 (3) | 0.069 (3) | 0.031 (2) | 0.0139 (17) | −0.021 (2) |
O3SA | 0.173 (5) | 0.062 (2) | 0.076 (3) | −0.078 (3) | 0.074 (3) | −0.033 (2) |
O4SA | 0.077 (3) | 0.112 (4) | 0.078 (3) | −0.035 (3) | −0.039 (2) | 0.023 (3) |
O1SB | 0.072 (7) | 0.044 (5) | 0.074 (7) | 0.000 (3) | 0.000 (4) | −0.029 (4) |
O2SB | 0.112 (4) | 0.111 (4) | 0.112 (4) | 0.0009 (10) | 0.0136 (11) | 0.0006 (10) |
O3SB | 0.118 (4) | 0.118 (4) | 0.118 (4) | −0.0005 (10) | 0.0163 (12) | −0.0006 (10) |
O4SB | 0.088 (4) | 0.089 (4) | 0.089 (4) | −0.0013 (10) | 0.0110 (11) | −0.0013 (10) |
Geometric parameters (Å, º) top
Cr1—N1 | 2.0814 (19) | C3—H3C | 0.9700 |
Cr1—N4 | 2.0816 (19) | C3—H3D | 0.9700 |
Cr1—N3 | 2.086 (2) | C4—C5 | 1.509 (4) |
Cr1—N2 | 2.1020 (19) | C4—H4C | 0.9700 |
Cr1—Cl1 | 2.3189 (8) | C4—H4D | 0.9700 |
Cr1—Cl2 | 2.3216 (8) | C5—C6 | 1.504 (4) |
N1—C1 | 1.481 (3) | C5—H5A | 0.9700 |
N1—H1A | 0.8900 | C5—H5B | 0.9700 |
N1—H1B | 0.8900 | C6—H6A | 0.9700 |
N2—C3 | 1.489 (3) | C6—H6B | 0.9700 |
N2—H2A | 0.8900 | Cr2—O3SB | 1.437 (16) |
N2—H2B | 0.8900 | Cr2—O3SA | 1.554 (3) |
N3—C4 | 1.486 (3) | Cr2—O2SA | 1.597 (4) |
N3—H3A | 0.8900 | Cr2—O4SB | 1.629 (14) |
N3—H3B | 0.8900 | Cr2—O4SA | 1.639 (4) |
N4—C6 | 1.482 (3) | Cr2—O1SB | 1.725 (12) |
N4—H4A | 0.8900 | Cr2—O1SA | 1.725 (12) |
N4—H4B | 0.8900 | Cr2—O2SB | 1.729 (15) |
C1—C2 | 1.519 (4) | Cr2—O1SBi | 1.772 (12) |
C1—H1C | 0.9700 | Cr2—O1SAi | 1.772 (12) |
C1—H1D | 0.9700 | O1SA—O1SAi | 0.607 (12) |
C2—C3 | 1.509 (4) | O1SA—Cr2i | 1.772 (12) |
C2—H2C | 0.9700 | O1SB—O1SBi | 0.607 (12) |
C2—H2D | 0.9700 | O1SB—Cr2i | 1.772 (12) |
| | | |
N1—Cr1—N4 | 90.20 (8) | N2—C3—C2 | 112.6 (2) |
N1—Cr1—N3 | 178.19 (8) | N2—C3—H3C | 109.1 |
N4—Cr1—N3 | 91.25 (8) | C2—C3—H3C | 109.1 |
N1—Cr1—N2 | 90.07 (8) | N2—C3—H3D | 109.1 |
N4—Cr1—N2 | 179.02 (7) | C2—C3—H3D | 109.1 |
N3—Cr1—N2 | 88.46 (8) | H3C—C3—H3D | 107.8 |
N1—Cr1—Cl1 | 90.30 (6) | N3—C4—C5 | 111.1 (2) |
N4—Cr1—Cl1 | 88.31 (6) | N3—C4—H4C | 109.4 |
N3—Cr1—Cl1 | 88.66 (7) | C5—C4—H4C | 109.4 |
N2—Cr1—Cl1 | 90.75 (6) | N3—C4—H4D | 109.4 |
N1—Cr1—Cl2 | 88.84 (6) | C5—C4—H4D | 109.4 |
N4—Cr1—Cl2 | 89.66 (6) | H4C—C4—H4D | 108.0 |
N3—Cr1—Cl2 | 92.26 (7) | C6—C5—C4 | 114.2 (2) |
N2—Cr1—Cl2 | 91.29 (6) | C6—C5—H5A | 108.7 |
Cl1—Cr1—Cl2 | 177.79 (3) | C4—C5—H5A | 108.7 |
C1—N1—Cr1 | 119.21 (15) | C6—C5—H5B | 108.7 |
C1—N1—H1A | 107.5 | C4—C5—H5B | 108.7 |
Cr1—N1—H1A | 107.5 | H5A—C5—H5B | 107.6 |
C1—N1—H1B | 107.5 | N4—C6—C5 | 112.30 (19) |
Cr1—N1—H1B | 107.5 | N4—C6—H6A | 109.1 |
H1A—N1—H1B | 107.0 | C5—C6—H6A | 109.1 |
C3—N2—Cr1 | 119.45 (14) | N4—C6—H6B | 109.1 |
C3—N2—H2A | 107.5 | C5—C6—H6B | 109.1 |
Cr1—N2—H2A | 107.5 | H6A—C6—H6B | 107.9 |
C3—N2—H2B | 107.5 | O3SA—Cr2—O2SA | 115.3 (3) |
Cr1—N2—H2B | 107.5 | O3SB—Cr2—O4SB | 114.8 (8) |
H2A—N2—H2B | 107.0 | O3SA—Cr2—O4SA | 107.8 (3) |
C4—N3—Cr1 | 120.46 (17) | O2SA—Cr2—O4SA | 102.3 (2) |
C4—N3—H3A | 107.2 | O3SB—Cr2—O1SB | 122.2 (8) |
Cr1—N3—H3A | 107.2 | O4SB—Cr2—O1SB | 101.1 (7) |
C4—N3—H3B | 107.2 | O3SA—Cr2—O1SA | 118.0 (6) |
Cr1—N3—H3B | 107.2 | O2SA—Cr2—O1SA | 112.0 (5) |
H3A—N3—H3B | 106.8 | O4SA—Cr2—O1SA | 98.6 (3) |
C6—N4—Cr1 | 119.42 (15) | O3SB—Cr2—O2SB | 114.5 (8) |
C6—N4—H4A | 107.5 | O4SB—Cr2—O2SB | 82.9 (7) |
Cr1—N4—H4A | 107.5 | O1SB—Cr2—O2SB | 113.6 (6) |
C6—N4—H4B | 107.5 | O3SB—Cr2—O1SBi | 130.7 (8) |
Cr1—N4—H4B | 107.5 | O4SB—Cr2—O1SBi | 107.0 (7) |
H4A—N4—H4B | 107.0 | O1SB—Cr2—O1SBi | 19.9 (4) |
N1—C1—C2 | 112.4 (2) | O2SB—Cr2—O1SBi | 95.0 (6) |
N1—C1—H1C | 109.1 | O3SA—Cr2—O1SAi | 112.5 (5) |
C2—C1—H1C | 109.1 | O2SA—Cr2—O1SAi | 100.8 (5) |
N1—C1—H1D | 109.1 | O4SA—Cr2—O1SAi | 117.9 (3) |
C2—C1—H1D | 109.1 | O1SA—Cr2—O1SAi | 19.9 (4) |
H1C—C1—H1D | 107.9 | O1SAi—O1SA—Cr2 | 84 (2) |
C3—C2—C1 | 113.9 (2) | O1SAi—O1SA—Cr2i | 76 (2) |
C3—C2—H2C | 108.8 | Cr2—O1SA—Cr2i | 160.1 (4) |
C1—C2—H2C | 108.8 | O1SBi—O1SB—Cr2 | 84 (2) |
C3—C2—H2D | 108.8 | O1SBi—O1SB—Cr2i | 76 (2) |
C1—C2—H2D | 108.8 | Cr2—O1SB—Cr2i | 160.1 (4) |
H2C—C2—H2D | 107.7 | | |
| | | |
Cr1—N1—C1—C2 | −58.0 (3) | O3SA—Cr2—O1SA—Cr2i | −79 (3) |
N1—C1—C2—C3 | 69.9 (3) | O2SA—Cr2—O1SA—Cr2i | 59 (3) |
Cr1—N2—C3—C2 | 55.6 (2) | O4SA—Cr2—O1SA—Cr2i | 166 (3) |
C1—C2—C3—N2 | −68.5 (3) | O1SAi—Cr2—O1SA—Cr2i | −0.002 (7) |
Cr1—N3—C4—C5 | 53.7 (3) | O3SB—Cr2—O1SB—O1SBi | 122 (3) |
N3—C4—C5—C6 | −71.0 (3) | O4SB—Cr2—O1SB—O1SBi | −109 (3) |
Cr1—N4—C6—C5 | −54.5 (2) | O2SB—Cr2—O1SB—O1SBi | −22 (3) |
C4—C5—C6—N4 | 72.2 (3) | O3SB—Cr2—O1SB—Cr2i | 122 (3) |
O3SA—Cr2—O1SA—O1SAi | −79 (3) | O4SB—Cr2—O1SB—Cr2i | −109 (3) |
O2SA—Cr2—O1SA—O1SAi | 59 (3) | O2SB—Cr2—O1SB—Cr2i | −22 (3) |
O4SA—Cr2—O1SA—O1SAi | 166 (3) | O1SBi—Cr2—O1SB—Cr2i | −0.002 (7) |
Symmetry code: (i) −x+2, −y+1, −z+1. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
N1—H1A···O4SAii | 0.89 | 2.29 | 3.076 (4) | 147 |
N1—H1A···O4SBii | 0.89 | 2.08 | 2.877 (14) | 149 |
N1—H1B···O2SAiii | 0.89 | 2.19 | 3.022 (4) | 156 |
N1—H1B···O3SBiii | 0.89 | 2.39 | 3.182 (16) | 149 |
N2—H2A···Cl1iv | 0.89 | 2.62 | 3.4085 (19) | 149 |
N2—H2B···O2SBv | 0.89 | 2.63 | 3.070 (15) | 111 |
N3—H3A···O3SAi | 0.89 | 2.20 | 3.017 (5) | 153 |
N3—H3A···O4SBi | 0.89 | 2.21 | 2.933 (14) | 138 |
N3—H3B···O2SAv | 0.89 | 2.28 | 3.027 (5) | 141 |
N3—H3B···O2SBv | 0.89 | 2.13 | 2.989 (16) | 162 |
N4—H4A···O3SAii | 0.89 | 2.25 | 3.044 (4) | 149 |
N4—H4A···O4SBii | 0.89 | 2.42 | 3.220 (14) | 150 |
N4—H4B···Cl2vi | 0.89 | 2.68 | 3.439 (2) | 143 |
Symmetry codes: (i) −x+2, −y+1, −z+1; (ii) −x+2, y−1/2, −z+3/2; (iii) −x+1, y−1/2, −z+3/2; (iv) x−1, y, z; (v) −x+1, −y+1, −z+1; (vi) x+1, y, z. |