Download citation
Download citation
link to html
In the title compound, [MnClL2]Cl·3CH4O, where L = bis­(benzimidazol-2-ylmeth­yl)amine (C16H15N5), the coordination geometry around the manganese(II) ion can be described as distorted octa­hedral, involving three benzimidazole N atoms, two tertiary amine atoms and a chloride anion. π–π Stacking inter­actions are found in two neighboring non-coordinated benzimidazole groups.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805017678/xu6017sup1.cif
Contains datablocks I, Global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805017678/xu6017Isup2.hkl
Contains datablock I

CCDC reference: 277815

Key indicators

  • Single-crystal X-ray study
  • T = 203 K
  • Mean [sigma](C-C) = 0.006 Å
  • R factor = 0.049
  • wR factor = 0.071
  • Data-to-parameter ratio = 14.0

checkCIF/PLATON results

No syntax errors found



Datablock: I


Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.12 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.69 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C31 - C32 .. 5.45 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C24
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL.

dichloro[bis(bis(benzimidazol-2-ylmethyl)-amine)] manganese(II) methanol trisolvate top
Crystal data top
[Mn(C16H15N5)2Cl]Cl·3CH4OF(000) = 1620
Mr = 776.63Dx = 1.325 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 2271 reflections
a = 13.161 (3) Åθ = 2.3–20.7°
b = 11.905 (3) ŵ = 0.52 mm1
c = 25.144 (7) ÅT = 203 K
β = 98.794 (4)°Block, colorless
V = 3893.2 (17) Å30.40 × 0.30 × 0.10 mm
Z = 4
Data collection top
Bruker SMART CCD area-detector
diffractometer
6860 independent reflections
Radiation source: fine-focus sealed tube3596 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.051
φ and ω scansθmax = 25.0°, θmin = 1.6°
Absorption correction: multi-scan
(SADABS; Bruker, 1998)
h = 157
Tmin = 0.818, Tmax = 0.950k = 1414
15680 measured reflectionsl = 2929
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.049Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.071H atoms treated by a mixture of independent and constrained refinement
S = 0.93 w = 1/[σ2(Fo2) + (0.0102P)2]
where P = (Fo2 + 2Fc2)/3
6860 reflections(Δ/σ)max = 0.001
490 parametersΔρmax = 0.48 e Å3
4 restraintsΔρmin = 0.36 e Å3
Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
C10.6249 (3)0.8793 (3)0.55043 (15)0.0453 (9)
C20.6099 (3)0.9134 (3)0.49718 (16)0.0597 (11)
H20.62330.98680.48760.072*
C30.5744 (3)0.8344 (3)0.45905 (15)0.0660 (12)
H30.56330.85430.42290.079*
C40.5547 (3)0.7242 (3)0.47399 (16)0.0585 (11)
H40.53020.67230.44750.070*
C50.5705 (2)0.6912 (3)0.52646 (15)0.0492 (10)
H50.55710.61780.53590.059*
C60.6070 (2)0.7697 (3)0.56544 (15)0.0407 (9)
C70.6581 (2)0.8611 (3)0.63816 (14)0.0395 (9)
C80.6802 (2)0.8936 (2)0.69596 (13)0.0436 (9)
H8A0.73880.94400.70150.052*
H8B0.62150.93320.70590.052*
C90.6501 (2)0.7944 (2)0.77793 (13)0.0445 (10)
H9A0.64930.87000.79230.053*
H9B0.68650.74610.80550.053*
C100.5426 (3)0.7532 (3)0.76213 (14)0.0374 (9)
C110.3795 (3)0.7222 (3)0.76310 (15)0.0444 (10)
C120.2777 (3)0.7177 (3)0.77305 (17)0.0610 (12)
H120.25640.75570.80170.073*
C130.2113 (3)0.6540 (3)0.73801 (19)0.0654 (13)
H130.14310.64870.74330.079*
C140.2418 (3)0.5971 (3)0.69497 (16)0.0576 (11)
H140.19370.55640.67180.069*
C150.3434 (3)0.6003 (3)0.68610 (14)0.0468 (10)
H150.36470.56140.65770.056*
C160.4120 (3)0.6639 (3)0.72153 (14)0.0378 (9)
C170.6966 (3)0.4826 (2)0.79777 (14)0.0356 (9)
C180.6077 (2)0.4871 (2)0.82103 (14)0.0433 (10)
H180.55070.52790.80530.052*
C190.6067 (3)0.4292 (3)0.86788 (15)0.0502 (10)
H190.54750.43100.88380.060*
C200.6904 (3)0.3681 (3)0.89263 (14)0.0587 (11)
H200.68580.32920.92430.070*
C210.7805 (3)0.3642 (3)0.87081 (15)0.0543 (10)
H210.83770.32460.88720.065*
C220.7809 (3)0.4226 (2)0.82315 (14)0.0383 (9)
C230.8139 (3)0.4950 (3)0.74777 (14)0.0372 (9)
C240.8708 (3)0.5171 (3)0.70236 (15)0.0628 (12)
H24A0.93490.55490.71580.075*
H24B0.88730.44620.68670.075*
C250.8115 (3)0.5409 (3)0.60666 (14)0.0570 (11)
H25A0.77520.59290.58080.068*
H25B0.77310.47100.60370.068*
C260.9152 (3)0.5187 (4)0.59121 (15)0.0532 (11)
C271.0561 (3)0.4407 (4)0.57943 (16)0.0643 (12)
C281.1382 (4)0.3681 (4)0.57664 (17)0.0949 (16)
H281.13610.29330.58710.114*
C291.2226 (4)0.4124 (5)0.5577 (2)0.111 (2)
H291.27920.36650.55610.133*
C301.2260 (4)0.5224 (5)0.5410 (2)0.1027 (19)
H301.28420.54840.52800.123*
C311.1458 (4)0.5939 (4)0.54304 (16)0.0893 (16)
H311.14780.66820.53190.107*
C321.0615 (3)0.5507 (4)0.56254 (15)0.0614 (12)
C330.7105 (3)0.2148 (4)0.55188 (19)0.1216 (19)
H33A0.71010.29120.56390.182*
H33B0.64380.19540.53310.182*
H33C0.76060.20640.52810.182*
C340.9950 (3)0.1629 (4)0.6639 (2)0.137 (2)
H34A1.03080.20260.69440.205*
H34B1.04060.15020.63820.205*
H34C0.97110.09220.67550.205*
C350.9077 (4)0.9133 (4)0.5394 (2)0.159 (3)
H35A0.86540.96740.55400.239*
H35B0.87550.89180.50400.239*
H35C0.97380.94580.53740.239*
Cl10.07178 (7)0.32571 (8)0.80441 (5)0.0847 (4)
Cl20.55819 (7)0.47079 (7)0.62765 (4)0.0553 (3)
H1N0.7725 (19)0.791 (2)0.7422 (11)0.036 (10)*
H3N0.679 (2)1.0056 (12)0.6049 (11)0.047 (11)*
H5N0.464 (2)0.8301 (19)0.8147 (9)0.063 (13)*
H6N0.844 (2)0.655 (2)0.6617 (12)0.059 (12)*
H8N0.9177 (12)0.403 (2)0.7951 (13)0.069 (13)*
H10N0.952 (2)0.6689 (13)0.5607 (12)0.052 (12)*
Mn0.64222 (4)0.62451 (4)0.68032 (2)0.03878 (15)
N10.7022 (2)0.7940 (2)0.73029 (12)0.0384 (8)
N20.62919 (19)0.7602 (2)0.62102 (11)0.0383 (7)
N30.6569 (2)0.9362 (2)0.59732 (13)0.0475 (8)
N40.5163 (2)0.6842 (2)0.72148 (11)0.0365 (7)
N50.4643 (3)0.7780 (2)0.78885 (13)0.0465 (8)
N60.8109 (2)0.5867 (2)0.66074 (12)0.0423 (8)
N70.71986 (19)0.52869 (19)0.74986 (11)0.0364 (7)
N80.8551 (2)0.4332 (2)0.79024 (13)0.0424 (8)
N90.9631 (2)0.4215 (2)0.59725 (12)0.0599 (9)
N100.9697 (3)0.5982 (3)0.57086 (13)0.0613 (10)
O10.7341 (3)0.1478 (3)0.59372 (14)0.1097 (12)
H10.79240.16210.60880.164*
O20.9123 (2)0.2258 (3)0.64050 (18)0.1260 (13)
H2A0.93160.27220.62010.189*
O30.9195 (4)0.8228 (3)0.57115 (15)0.1529 (16)
H3A0.92440.84240.60270.229*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.048 (2)0.041 (2)0.048 (3)0.0013 (19)0.012 (2)0.003 (2)
C20.077 (3)0.047 (3)0.056 (3)0.003 (2)0.014 (3)0.010 (2)
C30.085 (3)0.067 (3)0.047 (3)0.003 (2)0.012 (2)0.002 (3)
C40.071 (3)0.052 (3)0.050 (3)0.001 (2)0.005 (2)0.010 (2)
C50.053 (3)0.042 (2)0.052 (3)0.0030 (19)0.008 (2)0.002 (2)
C60.039 (2)0.037 (2)0.048 (3)0.0006 (18)0.010 (2)0.002 (2)
C70.033 (2)0.042 (2)0.044 (3)0.0021 (18)0.0086 (19)0.002 (2)
C80.045 (2)0.035 (2)0.052 (3)0.0030 (17)0.011 (2)0.003 (2)
C90.053 (3)0.035 (2)0.047 (3)0.0011 (18)0.010 (2)0.0060 (18)
C100.040 (3)0.030 (2)0.044 (3)0.0061 (18)0.012 (2)0.0034 (18)
C110.041 (3)0.037 (2)0.057 (3)0.011 (2)0.015 (2)0.011 (2)
C120.056 (3)0.052 (3)0.081 (4)0.018 (2)0.031 (3)0.023 (2)
C130.041 (3)0.064 (3)0.096 (4)0.015 (2)0.027 (3)0.036 (3)
C140.038 (3)0.055 (3)0.076 (3)0.003 (2)0.002 (2)0.026 (2)
C150.040 (2)0.045 (2)0.054 (3)0.0051 (19)0.005 (2)0.014 (2)
C160.034 (2)0.032 (2)0.047 (3)0.0031 (18)0.007 (2)0.0098 (18)
C170.030 (2)0.031 (2)0.047 (2)0.0014 (17)0.010 (2)0.0067 (18)
C180.038 (2)0.041 (2)0.052 (3)0.0017 (18)0.010 (2)0.000 (2)
C190.053 (3)0.050 (2)0.052 (3)0.001 (2)0.020 (2)0.001 (2)
C200.065 (3)0.060 (3)0.052 (3)0.007 (2)0.013 (2)0.015 (2)
C210.047 (3)0.055 (3)0.059 (3)0.012 (2)0.003 (2)0.004 (2)
C220.040 (2)0.031 (2)0.044 (3)0.0017 (18)0.008 (2)0.0034 (18)
C230.035 (2)0.036 (2)0.041 (2)0.0014 (18)0.009 (2)0.0009 (18)
C240.041 (3)0.084 (3)0.066 (3)0.014 (2)0.016 (2)0.010 (2)
C250.048 (3)0.060 (3)0.065 (3)0.009 (2)0.014 (2)0.008 (2)
C260.046 (3)0.065 (3)0.052 (3)0.002 (2)0.018 (2)0.009 (2)
C270.051 (3)0.080 (3)0.067 (3)0.012 (3)0.026 (2)0.008 (3)
C280.075 (4)0.116 (4)0.102 (4)0.030 (3)0.039 (3)0.008 (3)
C290.064 (4)0.183 (6)0.095 (4)0.031 (4)0.040 (3)0.007 (4)
C300.073 (4)0.160 (6)0.085 (4)0.022 (4)0.043 (3)0.020 (4)
C310.087 (4)0.112 (4)0.075 (4)0.022 (3)0.033 (3)0.029 (3)
C320.051 (3)0.084 (3)0.055 (3)0.010 (3)0.027 (2)0.017 (3)
C330.133 (5)0.097 (4)0.125 (5)0.024 (3)0.010 (4)0.019 (4)
C340.120 (5)0.138 (5)0.153 (6)0.059 (4)0.022 (4)0.060 (4)
C350.165 (6)0.123 (5)0.203 (7)0.011 (4)0.073 (5)0.062 (5)
Cl10.0486 (7)0.0804 (8)0.1281 (11)0.0251 (6)0.0233 (7)0.0153 (7)
Cl20.0677 (7)0.0433 (5)0.0553 (7)0.0179 (5)0.0110 (6)0.0062 (5)
Mn0.0354 (3)0.0341 (3)0.0476 (4)0.0010 (3)0.0090 (3)0.0029 (3)
N10.029 (2)0.0389 (18)0.045 (2)0.0045 (15)0.0011 (17)0.0001 (15)
N20.0393 (18)0.0322 (17)0.043 (2)0.0033 (14)0.0031 (15)0.0074 (15)
N30.058 (2)0.030 (2)0.055 (2)0.0104 (17)0.0117 (18)0.0024 (19)
N40.0288 (18)0.0346 (17)0.046 (2)0.0015 (13)0.0043 (15)0.0027 (15)
N50.053 (2)0.038 (2)0.053 (2)0.0070 (17)0.020 (2)0.0006 (18)
N60.045 (2)0.0368 (19)0.048 (2)0.0028 (16)0.0147 (17)0.0011 (17)
N70.0276 (18)0.0359 (16)0.048 (2)0.0037 (13)0.0118 (15)0.0020 (15)
N80.031 (2)0.0453 (19)0.051 (2)0.0102 (16)0.0065 (18)0.0012 (16)
N90.048 (2)0.063 (2)0.073 (3)0.0107 (18)0.025 (2)0.0060 (19)
N100.071 (3)0.060 (3)0.059 (2)0.001 (2)0.029 (2)0.005 (2)
O10.141 (3)0.074 (2)0.102 (3)0.048 (2)0.019 (2)0.032 (2)
O20.099 (3)0.081 (3)0.188 (4)0.0103 (19)0.011 (3)0.035 (2)
O30.258 (4)0.073 (2)0.132 (4)0.022 (3)0.045 (4)0.000 (2)
Geometric parameters (Å, º) top
C1—N31.369 (4)C23—C241.482 (4)
C1—C21.384 (4)C24—N61.467 (4)
C1—C61.387 (4)C24—H24A0.9700
C2—C31.374 (4)C24—H24B0.9700
C2—H20.9300C25—N61.466 (4)
C3—C41.399 (4)C25—C261.499 (4)
C3—H30.9300C25—H25A0.9700
C4—C51.362 (4)C25—H25B0.9700
C4—H40.9300C26—N91.316 (4)
C5—C61.386 (4)C26—N101.336 (4)
C5—H50.9300C27—C321.381 (4)
C6—N21.388 (4)C27—N91.385 (4)
C7—N21.313 (3)C27—C281.394 (5)
C7—N31.359 (4)C28—C291.380 (5)
C7—C81.489 (4)C28—H280.9300
C8—N11.469 (3)C29—C301.377 (5)
C8—H8A0.9700C29—H290.9300
C8—H8B0.9700C30—C311.364 (5)
C9—N11.469 (4)C30—H300.9300
C9—C101.492 (4)C31—C321.379 (4)
C9—H9A0.9700C31—H310.9300
C9—H9B0.9700C32—N101.379 (4)
C10—N41.316 (4)C33—O11.318 (4)
C10—N51.346 (4)C33—H33A0.9600
C11—N51.373 (4)C33—H33B0.9600
C11—C161.376 (4)C33—H33C0.9600
C11—C121.401 (4)C34—O21.377 (4)
C12—C131.371 (5)C34—H34A0.9600
C12—H120.9300C34—H34B0.9600
C13—C141.387 (4)C34—H34C0.9600
C13—H130.9300C35—O31.336 (4)
C14—C151.389 (4)C35—H35A0.9600
C14—H140.9300C35—H35B0.9600
C15—C161.392 (4)C35—H35C0.9600
C15—H150.9300Mn—Cl22.425 (1)
C16—N41.394 (3)Mn—N12.444 (3)
C17—C181.387 (4)Mn—N22.187 (3)
C17—C221.390 (4)Mn—N42.202 (2)
C17—N71.400 (4)Mn—N62.389 (3)
C18—C191.366 (4)Mn—N72.204 (3)
C18—H180.9300N1—H1N0.93 (2)
C19—C201.386 (4)N3—H3N0.888 (10)
C19—H190.9300N5—H5N0.898 (10)
C20—C211.381 (4)N6—H6N0.92 (3)
C20—H200.9300N8—H8N0.890 (10)
C21—C221.386 (4)N10—H10N0.899 (10)
C21—H210.9300O1—H10.8200
C22—N81.379 (4)O2—H2A0.8200
C23—N71.309 (3)O3—H3A0.8200
C23—N81.341 (4)
N3—C1—C2131.8 (4)N10—C26—C25122.5 (4)
N3—C1—C6105.9 (3)C32—C27—N9110.2 (4)
C2—C1—C6122.3 (4)C32—C27—C28119.7 (4)
C3—C2—C1117.2 (3)N9—C27—C28130.1 (5)
C3—C2—H2121.4C29—C28—C27116.9 (5)
C1—C2—H2121.4C29—C28—H28121.6
C2—C3—C4120.8 (4)C27—C28—H28121.6
C2—C3—H3119.6C30—C29—C28122.3 (5)
C4—C3—H3119.6C30—C29—H29118.9
C5—C4—C3121.6 (4)C28—C29—H29118.9
C5—C4—H4119.2C31—C30—C29121.4 (5)
C3—C4—H4119.2C31—C30—H30119.3
C4—C5—C6118.4 (3)C29—C30—H30119.3
C4—C5—H5120.8C30—C31—C32116.8 (5)
C6—C5—H5120.8C30—C31—H31121.6
C5—C6—C1119.8 (4)C32—C31—H31121.6
C5—C6—N2130.8 (3)C31—C32—N10132.2 (5)
C1—C6—N2109.4 (3)C31—C32—C27123.0 (4)
N2—C7—N3112.6 (3)N10—C32—C27104.8 (4)
N2—C7—C8124.2 (3)O1—C33—H33A109.5
N3—C7—C8123.0 (3)O1—C33—H33B109.5
N1—C8—C7110.8 (3)H33A—C33—H33B109.5
N1—C8—H8A109.5O1—C33—H33C109.5
C7—C8—H8A109.5H33A—C33—H33C109.5
N1—C8—H8B109.5H33B—C33—H33C109.5
C7—C8—H8B109.5O2—C34—H34A109.5
H8A—C8—H8B108.1O2—C34—H34B109.5
N1—C9—C10108.9 (3)H34A—C34—H34B109.5
N1—C9—H9A109.9O2—C34—H34C109.5
C10—C9—H9A109.9H34A—C34—H34C109.5
N1—C9—H9B109.9H34B—C34—H34C109.5
C10—C9—H9B109.9O3—C35—H35A109.5
H9A—C9—H9B108.3O3—C35—H35B109.5
N4—C10—N5113.2 (3)H35A—C35—H35B109.5
N4—C10—C9122.6 (3)O3—C35—H35C109.5
N5—C10—C9124.2 (3)H35A—C35—H35C109.5
N5—C11—C16106.1 (3)H35B—C35—H35C109.5
N5—C11—C12131.7 (4)N2—Mn—N495.50 (9)
C16—C11—C12122.2 (4)N2—Mn—N7154.4 (1)
C13—C12—C11116.1 (4)N4—Mn—N794.9 (1)
C13—C12—H12122.0N2—Mn—N688.7 (1)
C11—C12—H12122.0N4—Mn—N6161.39 (11)
C12—C13—C14122.6 (4)N7—Mn—N674.5 (1)
C12—C13—H13118.7N2—Mn—Cl2101.73 (8)
C14—C13—H13118.7N4—Mn—Cl2100.79 (8)
C13—C14—C15120.9 (4)N7—Mn—Cl299.22 (7)
C13—C14—H14119.6N6—Mn—Cl296.06 (8)
C15—C14—H14119.6N2—Mn—N174.1 (1)
C14—C15—C16117.2 (3)N4—Mn—N172.5 (1)
C14—C15—H15121.4N7—Mn—N186.9 (1)
C16—C15—H15121.4N6—Mn—N191.4 (1)
C11—C16—C15120.9 (4)Cl2—Mn—N1171.39 (8)
C11—C16—N4109.5 (3)C9—N1—C8113.7 (3)
C15—C16—N4129.5 (3)C9—N1—Mn105.52 (18)
C18—C17—C22119.5 (3)C8—N1—Mn110.2 (2)
C18—C17—N7131.1 (3)C9—N1—H1N107.7 (17)
C22—C17—N7109.4 (3)C8—N1—H1N108.3 (16)
C19—C18—C17117.6 (3)Mn—N1—H1N111.5 (16)
C19—C18—H18121.2C7—N2—C6105.2 (3)
C17—C18—H18121.2C7—N2—Mn117.6 (2)
C18—C19—C20122.7 (3)C6—N2—Mn136.9 (2)
C18—C19—H19118.6C7—N3—C1107.0 (3)
C20—C19—H19118.6C7—N3—H3N119 (2)
C21—C20—C19120.7 (3)C1—N3—H3N134 (2)
C21—C20—H20119.6C10—N4—C16104.5 (3)
C19—C20—H20119.6C10—N4—Mn116.1 (2)
C20—C21—C22116.3 (3)C16—N4—Mn139.1 (2)
C20—C21—H21121.8C10—N5—C11106.7 (3)
C22—C21—H21121.8C10—N5—H5N127 (2)
N8—C22—C21131.4 (3)C11—N5—H5N126 (2)
N8—C22—C17105.5 (3)C25—N6—C24111.9 (3)
C21—C22—C17123.1 (3)C25—N6—Mn113.5 (2)
N7—C23—N8113.9 (3)C24—N6—Mn112.02 (19)
N7—C23—C24124.7 (3)C25—N6—H6N106.5 (19)
N8—C23—C24121.4 (3)C24—N6—H6N106 (2)
N6—C24—C23111.7 (3)Mn—N6—H6N106.1 (17)
N6—C24—H24A109.3C23—N7—C17104.3 (3)
C23—C24—H24A109.3C23—N7—Mn116.9 (2)
N6—C24—H24B109.3C17—N7—Mn138.6 (2)
C23—C24—H24B109.3C23—N8—C22106.9 (3)
H24A—C24—H24B107.9C23—N8—H8N126 (2)
N6—C25—C26116.1 (3)C22—N8—H8N127 (2)
N6—C25—H25A108.3C26—N9—C27104.4 (3)
C26—C25—H25A108.3C26—N10—C32107.5 (4)
N6—C25—H25B108.3C26—N10—H10N130.0 (19)
C26—C25—H25B108.3C32—N10—H10N122.2 (19)
H25A—C25—H25B107.4C33—O1—H1109.5
N9—C26—N10113.1 (3)C34—O2—H2A109.5
N9—C26—C25124.4 (4)C35—O3—H3A109.5
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1—H1···O20.821.822.627 (4)167
O2—H2A···N90.821.932.698 (4)155
O3—H3A···Cl1i0.822.343.114 (4)158
N1—H1N···Cl1i0.93 (2)2.54 (2)3.247 (3)133 (2)
N3—H3N···O1ii0.89 (1)1.88 (1)2.724 (4)158 (3)
N5—H5N···Cl2i0.90 (1)2.26 (1)3.155 (3)171 (3)
N6—H6N···Cl1i0.92 (3)2.41 (3)3.292 (3)161 (3)
N8—H8N···Cl1iii0.89 (1)2.21 (1)3.096 (3)178 (3)
N10—H10N···O30.90 (1)1.91 (2)2.754 (4)156 (3)
C4—H4···Cl2iv0.932.673.603 (4)174
Symmetry codes: (i) x+1, y+1/2, z+3/2; (ii) x, y+1, z; (iii) x+1, y, z; (iv) x+1, y+1, z+1.
 

Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds