[2,6-Diacetyl­pyridine bis­(4-ethyl­thiosemicarbazonato)-κ⁵N,N′,N′′,S′,S′′]dimethyl­tin(IV) dichloride

The Sn^IV atom in the title compound, [Sn(CH₃)₂(C₁₅H₂₁N₇S₂)]Cl₂, is chelated by the deprotonated 2,6-diacetyl­pyridine bis­(4-ethyl­thio­semicarbazone) ligand in a trans-C₂SnN₃S₂ penta­gonal–bipyramidal geometry.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.005 Å
• R factor = 0.033
• wR factor = 0.100
• Data-to-parameter ratio = 20.3

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.96
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.95
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Sn1    -   S2      ..       5.36 su
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         S1
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         S2
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.51
PLAT431_ALERT_2_C Short Inter HL..A Contact  Cl1    ..  N6      ..       3.17 Ang.
PLAT732_ALERT_1_C Angle   Calc    83.92(3), Rep   83.90(10) ......       3.33 su-Ra
              S1   -SN1  -S2      1.555   1.555   1.555

Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   9 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

---

Computing details

Data collection: SMART (Bruker, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: SHELXL97.

[2,6-Diacetylpyridine bis(4-ethylthiosemicarbazonato)-κ⁵N,N',N'',S',S'']dimethyltin(IV) dichloride

Crystal data

[Sn(CH3)2(C15H21N7S2)]Cl2	Z = 2
Mr = 583.17	F(000) = 588
Triclinic, P1	Dx = 1.564 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 8.533 (1) Å	Cell parameters from 941 reflections
b = 10.031 (1) Å	θ = 3.2–28.0°
c = 15.451 (2) Å	µ = 1.43 mm^−1
α = 79.736 (1)°	T = 293 K
β = 87.300 (1)°	Block, yellow
γ = 72.100 (1)°	0.45 × 0.41 × 0.25 mm
V = 1238.4 (2) Å^3

Data collection

Bruker APEX area-detector diffractometer	5443 independent reflections
Radiation source: fine-focus sealed tube	5145 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.018
ω and φ scans	θmax = 27.5°, θmin = 2.2°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −11→11
Tmin = 0.586, Tmax = 0.732	k = −12→12
13463 measured reflections	l = −19→20

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.033	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.100	H-atom parameters constrained
S = 1.08	w = 1/[σ^2(Fo^2) + (0.0661P)^2 + 0.8148P] where P = (Fo^2 + 2Fc^2)/3
5443 reflections	(Δ/σ)max = 0.001
268 parameters	Δρmax = 0.90 e Å^−3
0 restraints	Δρmin = −1.13 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Sn1	0.79770 (2)	0.599310 (17)	0.712883 (11)	0.03523 (8)
Cl1	0.71367 (12)	−0.03272 (8)	0.89050 (6)	0.0560 (2)
Cl2	0.6095 (5)	0.1469 (5)	1.0467 (3)	0.2397 (19)
S1	0.64997 (12)	0.80390 (9)	0.58716 (7)	0.0634 (3)
S2	0.56393 (12)	0.47327 (9)	0.67315 (6)	0.0561 (2)
N1	0.7256 (4)	1.0422 (3)	0.5399 (2)	0.0558 (7)
H1N	0.6482	1.0594	0.5020	0.067*
N2	0.8855 (3)	0.8985 (3)	0.65061 (18)	0.0452 (6)
N3	0.9294 (3)	0.7712 (2)	0.70776 (16)	0.0387 (5)
N4	1.0150 (3)	0.5251 (3)	0.81960 (15)	0.0387 (5)
N5	0.8406 (3)	0.3512 (3)	0.80875 (16)	0.0413 (5)
N6	0.7430 (3)	0.2685 (3)	0.80014 (18)	0.0483 (6)
N7	0.5367 (4)	0.2216 (3)	0.7396 (2)	0.0541 (7)
H7N	0.5710	0.1409	0.7741	0.065*
C1	0.7348 (6)	1.2778 (4)	0.4719 (3)	0.0716 (11)
H1A	0.7960	1.3441	0.4705	0.107*
H1B	0.6222	1.3219	0.4863	0.107*
H1C	0.7394	1.2499	0.4154	0.107*
C2	0.8084 (5)	1.1484 (3)	0.5406 (3)	0.0557 (8)
H2A	0.9246	1.1085	0.5289	0.067*
H2B	0.7983	1.1757	0.5982	0.067*
C3	0.7647 (4)	0.9178 (3)	0.5962 (2)	0.0454 (6)
C4	1.0468 (4)	0.7542 (3)	0.7625 (2)	0.0421 (6)
C5	1.1269 (5)	0.8655 (4)	0.7652 (3)	0.0610 (9)
H5A	1.0466	0.9577	0.7524	0.092*
H5B	1.2127	0.8582	0.7222	0.092*
H5C	1.1730	0.8526	0.8226	0.092*
C6	1.0990 (4)	0.6174 (3)	0.82387 (19)	0.0413 (6)
C7	1.2291 (5)	0.5848 (4)	0.8826 (2)	0.0579 (9)
H7	1.2838	0.6508	0.8863	0.070*
C8	1.2754 (5)	0.4526 (5)	0.9353 (3)	0.0705 (12)
H8	1.3654	0.4269	0.9731	0.085*
C9	1.1879 (5)	0.3582 (4)	0.9319 (2)	0.0618 (10)
H9	1.2170	0.2694	0.9679	0.074*
C10	1.0561 (4)	0.3981 (3)	0.87385 (19)	0.0432 (6)
C11	0.9548 (4)	0.3039 (3)	0.8680 (2)	0.0440 (6)
C12	0.9868 (5)	0.1650 (4)	0.9302 (3)	0.0671 (11)
H12A	0.8865	0.1597	0.9594	0.101*
H12B	1.0679	0.1584	0.9731	0.101*
H12C	1.0266	0.0880	0.8979	0.101*
C13	0.6169 (4)	0.3149 (3)	0.7405 (2)	0.0423 (6)
C14	0.3944 (5)	0.2467 (4)	0.6841 (3)	0.0696 (11)
H14A	0.4257	0.2608	0.6228	0.083*
H14B	0.3100	0.3324	0.6946	0.083*
C15	0.3271 (6)	0.1237 (5)	0.7028 (4)	0.0856 (15)
H15A	0.4120	0.0384	0.6948	0.128*
H15B	0.2370	0.1398	0.6634	0.128*
H15C	0.2890	0.1140	0.7624	0.128*
C17	0.6367 (5)	0.6716 (4)	0.8150 (3)	0.0579 (8)
H16A	0.6867	0.7195	0.8488	0.087*
H16B	0.6156	0.5918	0.8525	0.087*
H16C	0.5348	0.7362	0.7899	0.087*
C18	0.9632 (5)	0.4826 (4)	0.6267 (2)	0.0571 (8)
H18A	1.0599	0.5131	0.6197	0.086*
H18B	0.9109	0.4988	0.5705	0.086*
H18C	0.9937	0.3830	0.6510	0.086*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Sn1	0.03691 (12)	0.03071 (12)	0.03857 (12)	−0.01388 (8)	−0.00577 (7)	0.00074 (7)
Cl1	0.0761 (5)	0.0416 (4)	0.0543 (4)	−0.0290 (4)	−0.0122 (4)	0.0045 (3)
Cl2	0.205 (3)	0.308 (5)	0.261 (4)	−0.114 (3)	0.033 (3)	−0.135 (4)
S1	0.0701 (5)	0.0424 (4)	0.0787 (6)	−0.0304 (4)	−0.0414 (5)	0.0217 (4)
S2	0.0623 (5)	0.0368 (4)	0.0704 (5)	−0.0253 (3)	−0.0331 (4)	0.0147 (3)
N1	0.0622 (17)	0.0391 (13)	0.0641 (17)	−0.0231 (12)	−0.0228 (13)	0.0160 (12)
N2	0.0518 (14)	0.0345 (12)	0.0505 (14)	−0.0215 (10)	−0.0126 (11)	0.0076 (10)
N3	0.0416 (12)	0.0337 (11)	0.0416 (12)	−0.0181 (9)	−0.0077 (9)	0.0050 (9)
N4	0.0406 (12)	0.0382 (12)	0.0385 (11)	−0.0183 (9)	−0.0091 (9)	0.0042 (9)
N5	0.0474 (13)	0.0340 (11)	0.0447 (13)	−0.0204 (10)	−0.0131 (10)	0.0056 (9)
N6	0.0541 (15)	0.0373 (13)	0.0561 (16)	−0.0253 (11)	−0.0194 (12)	0.0104 (11)
N7	0.0544 (15)	0.0383 (13)	0.0722 (18)	−0.0252 (12)	−0.0227 (13)	0.0100 (12)
C1	0.093 (3)	0.051 (2)	0.072 (2)	−0.037 (2)	−0.015 (2)	0.0168 (18)
C2	0.063 (2)	0.0399 (16)	0.065 (2)	−0.0241 (14)	−0.0110 (16)	0.0065 (14)
C3	0.0477 (15)	0.0347 (14)	0.0525 (16)	−0.0170 (12)	−0.0112 (13)	0.0072 (12)
C4	0.0450 (15)	0.0393 (14)	0.0455 (15)	−0.0226 (12)	−0.0079 (12)	0.0032 (11)
C5	0.067 (2)	0.0533 (19)	0.073 (2)	−0.0400 (17)	−0.0215 (18)	0.0068 (16)
C6	0.0443 (14)	0.0437 (15)	0.0396 (13)	−0.0232 (12)	−0.0075 (11)	0.0031 (11)
C7	0.062 (2)	0.064 (2)	0.0552 (18)	−0.0396 (17)	−0.0223 (15)	0.0119 (16)
C8	0.073 (2)	0.075 (3)	0.067 (2)	−0.041 (2)	−0.0408 (19)	0.0243 (19)
C9	0.067 (2)	0.058 (2)	0.060 (2)	−0.0325 (17)	−0.0310 (17)	0.0221 (16)
C10	0.0463 (15)	0.0423 (15)	0.0421 (14)	−0.0214 (12)	−0.0128 (12)	0.0078 (11)
C11	0.0499 (16)	0.0373 (14)	0.0444 (15)	−0.0194 (12)	−0.0133 (12)	0.0082 (11)
C12	0.083 (3)	0.0475 (18)	0.071 (2)	−0.0349 (18)	−0.039 (2)	0.0261 (17)
C13	0.0440 (14)	0.0336 (13)	0.0512 (16)	−0.0178 (11)	−0.0109 (12)	0.0014 (11)
C14	0.061 (2)	0.055 (2)	0.097 (3)	−0.0319 (17)	−0.036 (2)	0.0093 (19)
C15	0.071 (3)	0.062 (2)	0.135 (4)	−0.041 (2)	−0.026 (3)	−0.003 (3)
C17	0.0559 (19)	0.058 (2)	0.067 (2)	−0.0243 (16)	0.0121 (16)	−0.0187 (17)
C18	0.061 (2)	0.057 (2)	0.0528 (18)	−0.0167 (16)	0.0051 (15)	−0.0120 (15)

Geometric parameters (Å, º)

Sn1—C17	2.120 (3)	C4—C5	1.484 (4)
Sn1—C18	2.121 (3)	C4—C6	1.477 (4)
Sn1—N3	2.319 (2)	C5—H5A	0.96
Sn1—N4	2.390 (2)	C5—H5B	0.96
Sn1—N5	2.588 (2)	C5—H5C	0.96
Sn1—S1	2.607 (1)	C6—C7	1.389 (4)
Sn1—S2	2.810 (1)	C7—C8	1.379 (5)
S1—C3	1.744 (3)	C7—H7	0.93
S2—C13	1.681 (3)	C8—C9	1.384 (5)
N1—C3	1.345 (4)	C8—H8	0.93
N1—C2	1.450 (4)	C9—C10	1.385 (4)
N1—H1N	0.86	C9—H9	0.93
N2—C3	1.307 (4)	C10—C11	1.479 (4)
N2—N3	1.373 (3)	C11—C12	1.501 (4)
N3—C4	1.292 (4)	C12—H12A	0.96
N4—C6	1.345 (4)	C12—H12B	0.96
N4—C10	1.349 (4)	C12—H12C	0.96
N5—C11	1.288 (4)	C14—C15	1.493 (5)
N5—N6	1.369 (3)	C14—H14A	0.97
N6—C13	1.362 (4)	C14—H14B	0.97
N7—C13	1.320 (4)	C15—H15A	0.96
N7—C14	1.452 (4)	C15—H15B	0.96
N7—H7N	0.86	C15—H15C	0.96
C1—C2	1.509 (5)	C17—H16A	0.96
C1—H1A	0.96	C17—H16B	0.96
C1—H1B	0.96	C17—H16C	0.96
C1—H1C	0.96	C18—H18A	0.96
C2—H2A	0.97	C18—H18B	0.96
C2—H2B	0.97	C18—H18C	0.96
C17—Sn1—C18	167.5 (2)	C4—C5—H5A	109.5
C17—Sn1—N3	93.9 (1)	C4—C5—H5B	109.5
C17—Sn1—N4	86.9 (1)	H5A—C5—H5B	109.5
C17—Sn1—N5	83.9 (1)	C4—C5—H5C	109.5
C17—Sn1—S1	96.6 (1)	H5A—C5—H5C	109.5
C17—Sn1—S2	86.1 (1)	H5B—C5—H5C	109.5
C18—Sn1—N3	95.3 (1)	N4—C6—C7	121.5 (3)
C18—Sn1—N4	88.5 (1)	N4—C6—C4	116.6 (2)
C18—Sn1—N5	83.7 (1)	C7—C6—C4	121.8 (3)
C18—Sn1—S1	94.0 (1)	C8—C7—C6	118.6 (3)
C18—Sn1—S2	88.5 (1)	C8—C7—H7	120.7
N3—Sn1—N4	68.9 (1)	C6—C7—H7	120.7
N3—Sn1—N5	133.0 (1)	C9—C8—C7	119.9 (3)
N3—Sn1—S1	74.7 (1)	C9—C8—H8	120.0
N3—Sn1—S2	158.5 (1)	C7—C8—H8	120.0
N4—Sn1—N5	64.1 (1)	C8—C9—C10	118.9 (3)
N4—Sn1—S1	143.7 (1)	C8—C9—H9	120.6
N4—Sn1—S2	132.4 (1)	C10—C9—H9	120.6
N5—Sn1—S1	152.2 (1)	N4—C10—C9	121.2 (3)
N5—Sn1—S2	68.4 (1)	N4—C10—C11	116.9 (2)
S1—Sn1—S2	83.9 (1)	C9—C10—C11	121.8 (3)
C3—S1—Sn1	97.22 (10)	N5—C11—C10	115.6 (2)
C13—S2—Sn1	103.40 (10)	N5—C11—C12	124.6 (3)
C3—N1—C2	122.7 (3)	C10—C11—C12	119.9 (3)
C3—N1—H1N	118.6	C11—C12—H12A	109.5
C2—N1—H1N	118.6	C11—C12—H12B	109.5
C3—N2—N3	115.9 (2)	H12A—C12—H12B	109.5
C4—N3—N2	115.5 (2)	C11—C12—H12C	109.5
C4—N3—Sn1	120.92 (18)	H12A—C12—H12C	109.5
N2—N3—Sn1	123.52 (17)	H12B—C12—H12C	109.5
C6—N4—C10	119.7 (2)	N7—C13—N6	113.2 (3)
C6—N4—Sn1	116.54 (18)	N7—C13—S2	121.6 (2)
C10—N4—Sn1	123.73 (18)	N6—C13—S2	125.2 (2)
C11—N5—N6	118.2 (2)	N7—C14—C15	110.6 (3)
C11—N5—Sn1	119.62 (19)	N7—C14—H14A	109.5
N6—N5—Sn1	122.15 (17)	C15—C14—H14A	109.5
C13—N6—N5	120.9 (2)	N7—C14—H14B	109.5
C13—N7—C14	124.1 (3)	C15—C14—H14B	109.5
C13—N7—H7N	118.0	H14A—C14—H14B	108.1
C14—N7—H7N	118.0	C14—C15—H15A	109.5
C2—C1—H1A	109.5	C14—C15—H15B	109.5
C2—C1—H1B	109.5	H15A—C15—H15B	109.5
H1A—C1—H1B	109.5	C14—C15—H15C	109.5
C2—C1—H1C	109.5	H15A—C15—H15C	109.5
H1A—C1—H1C	109.5	H15B—C15—H15C	109.5
H1B—C1—H1C	109.5	Sn1—C17—H16A	109.5
N1—C2—C1	110.6 (3)	Sn1—C17—H16B	109.5
N1—C2—H2A	109.5	H16A—C17—H16B	109.5
C1—C2—H2A	109.5	Sn1—C17—H16C	109.5
N1—C2—H2B	109.5	H16A—C17—H16C	109.5
C1—C2—H2B	109.5	H16B—C17—H16C	109.5
H2A—C2—H2B	108.1	Sn1—C18—H18A	109.5
N2—C3—N1	114.9 (3)	Sn1—C18—H18B	109.5
N2—C3—S1	128.6 (2)	H18A—C18—H18B	109.5
N1—C3—S1	116.5 (2)	Sn1—C18—H18C	109.5
N3—C4—C5	122.6 (3)	H18A—C18—H18C	109.5
N3—C4—C6	116.9 (2)	H18B—C18—H18C	109.5
C5—C4—C6	120.5 (3)
C18—Sn1—S1—C3	−94.98 (16)	S1—Sn1—N5—N6	−3.2 (3)
C17—Sn1—S1—C3	91.64 (16)	S2—Sn1—N5—N6	1.0 (2)
N3—Sn1—S1—C3	−0.62 (14)	C11—N5—N6—C13	177.8 (3)
N4—Sn1—S1—C3	−2.05 (17)	Sn1—N5—N6—C13	−0.6 (4)
N5—Sn1—S1—C3	−178.98 (17)	C3—N1—C2—C1	−178.3 (4)
S2—Sn1—S1—C3	177.01 (13)	N3—N2—C3—N1	−179.0 (3)
C18—Sn1—S2—C13	82.74 (16)	N3—N2—C3—S1	0.7 (5)
C17—Sn1—S2—C13	−86.02 (17)	C2—N1—C3—N2	−1.3 (5)
N3—Sn1—S2—C13	−176.8 (2)	C2—N1—C3—S1	179.0 (3)
N4—Sn1—S2—C13	−3.83 (15)	Sn1—S1—C3—N2	0.2 (3)
N5—Sn1—S2—C13	−1.08 (14)	Sn1—S1—C3—N1	179.9 (3)
S1—Sn1—S2—C13	176.92 (13)	N2—N3—C4—C5	1.3 (5)
C3—N2—N3—C4	−178.7 (3)	Sn1—N3—C4—C5	−175.9 (3)
C3—N2—N3—Sn1	−1.5 (4)	N2—N3—C4—C6	−179.0 (3)
C18—Sn1—N3—C4	−89.0 (3)	Sn1—N3—C4—C6	3.7 (4)
C17—Sn1—N3—C4	82.5 (3)	C10—N4—C6—C7	0.6 (5)
N4—Sn1—N3—C4	−2.6 (2)	Sn1—N4—C6—C7	−179.1 (3)
N5—Sn1—N3—C4	−2.8 (3)	C10—N4—C6—C4	−180.0 (3)
S1—Sn1—N3—C4	178.3 (3)	Sn1—N4—C6—C4	0.3 (4)
S2—Sn1—N3—C4	171.83 (18)	N3—C4—C6—N4	−2.6 (4)
C18—Sn1—N3—N2	93.9 (3)	C5—C4—C6—N4	177.1 (3)
C17—Sn1—N3—N2	−94.5 (3)	N3—C4—C6—C7	176.8 (3)
N4—Sn1—N3—N2	−179.7 (3)	C5—C4—C6—C7	−3.5 (5)
N5—Sn1—N3—N2	−179.8 (2)	N4—C6—C7—C8	2.2 (6)
S1—Sn1—N3—N2	1.2 (2)	C4—C6—C7—C8	−177.2 (4)
S2—Sn1—N3—N2	−5.2 (4)	C6—C7—C8—C9	−3.0 (7)
C18—Sn1—N4—C6	97.3 (2)	C7—C8—C9—C10	1.1 (7)
C17—Sn1—N4—C6	−94.3 (2)	C6—N4—C10—C9	−2.6 (5)
N3—Sn1—N4—C6	1.1 (2)	Sn1—N4—C10—C9	177.2 (3)
N5—Sn1—N4—C6	−179.0 (2)	C6—N4—C10—C11	177.8 (3)
S1—Sn1—N4—C6	2.5 (3)	Sn1—N4—C10—C11	−2.5 (4)
S2—Sn1—N4—C6	−176.20 (18)	C8—C9—C10—N4	1.7 (6)
C18—Sn1—N4—C10	−82.5 (3)	C8—C9—C10—C11	−178.6 (4)
C17—Sn1—N4—C10	85.9 (3)	N6—N5—C11—C10	179.9 (3)
N3—Sn1—N4—C10	−178.7 (3)	Sn1—N5—C11—C10	−1.6 (4)
N5—Sn1—N4—C10	1.2 (2)	N6—N5—C11—C12	−1.3 (5)
S1—Sn1—N4—C10	−177.2 (2)	Sn1—N5—C11—C12	177.2 (3)
S2—Sn1—N4—C10	4.1 (3)	N4—C10—C11—N5	2.6 (5)
C18—Sn1—N5—C11	91.8 (3)	C9—C10—C11—N5	−177.0 (4)
C17—Sn1—N5—C11	−89.2 (3)	N4—C10—C11—C12	−176.3 (3)
N3—Sn1—N5—C11	0.5 (3)	C9—C10—C11—C12	4.1 (5)
N4—Sn1—N5—C11	0.3 (2)	C14—N7—C13—N6	178.0 (4)
S1—Sn1—N5—C11	178.32 (19)	C14—N7—C13—S2	−2.2 (6)
S2—Sn1—N5—C11	−177.4 (3)	N5—N6—C13—N7	179.0 (3)
C18—Sn1—N5—N6	−89.8 (3)	N5—N6—C13—S2	−0.8 (5)
C17—Sn1—N5—N6	89.3 (3)	Sn1—S2—C13—N7	−178.2 (3)
N3—Sn1—N5—N6	178.9 (2)	Sn1—S2—C13—N6	1.5 (3)
N4—Sn1—N5—N6	178.8 (3)	C13—N7—C14—C15	−176.6 (4)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N7—H7N···Cl1	0.86	2.35	3.173 (3)	159