5-Benzyl-7,9-di­methoxy-3-phenyl-5H-pyrazolo­[4,3-c]­quinolin-1-ium chloride acetic acid solvate

The asymmetric unit of the title compound, C₂₅H₂₂N₃O₂⁺·Cl⁻·C₂H₄O₂, is composed of a 5-benzyl-7,9-di­methoxy-3-phenyl-5H-pyrazolo­[4,3-c]­quinolin-1-ium cation, a chloride anion and an acetic acid solvent mol­ecule. The positive charge of the cation is located on the pyrazole ring, resulting in aromatization of the bonds in the pyrazolo­[4,3-c]­quinoline tricyclic system. The pyrazolium H atom forms a bifurcated hydrogen bond with the O atom of the 6-methoxy group [N...O = 2.741 (2) Å and N—H...O = 117°] and with the carbonyl O atom of the acetic acid mol­ecule [N...O = 2.826 (2) Å and N—H...O = 134°]. Another hydrogen bond is observed between the acetic acid hydroxy group and the chloride anion [Cl...O = 2.972 (2) Å and O—H...Cl = 172°].

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.003 Å
• R factor = 0.046
• wR factor = 0.083
• Data-to-parameter ratio = 14.1

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    O1     -   C27      =       9.02 su
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C4     -   C5       =       7.19 su
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C4     -   C13      =       7.30 su
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C21    -   C26      =       8.15 su

Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         46 Perc.
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.57 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C8     -   C9       =       6.78 su
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C9     -   C10      =       6.44 su
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C15    -   C16      =       6.62 su
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        C30

   0 ALERT level A = In general: serious problem
   4 ALERT level B = Potentially serious problem
   7 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
   8 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

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Computing details

Data collection: P3 (Siemens, 1989); cell refinement: P3; data reduction: XDISK and XPREP (Siemens, 1991); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP (Siemens, 1991); software used to prepare material for publication: WinGX (Farrugia, 1999).

(I)

Crystal data

C25H22N3O2^+·Cl^−·C2H4O2	F(000) = 2064
Mr = 491.96	Dx = 1.326 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 36 reflections
a = 21.224 (7) Å	θ = 12.0–13.0°
b = 15.830 (4) Å	µ = 0.19 mm^−1
c = 15.550 (5) Å	T = 293 K
β = 109.42 (3)°	Plate, colourless
V = 4927 (3) Å^3	0.5 × 0.2 × 0.15 mm
Z = 8

Data collection

Siemens P3/PC diffractometer	Rint = 0.054
2θ/θ scans	θmax = 25.5°, θmin = 2.4°
Absorption correction: integration (XPREP; Siemens, 1991)	h = −25→24
Tmin = 0.951, Tmax = 0.964	k = 0→19
4692 measured reflections	l = 0→18
4509 independent reflections	2 standard reflections every 98 reflections
2075 reflections with I > 2σ(I)	intensity decay: 1%

Refinement

Refinement on F^2	H-atom parameters constrained
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.02P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.046	(Δ/σ)max = 0.001
wR(F^2) = 0.083	Δρmax = 0.25 e Å^−3
S = 0.99	Δρmin = −0.14 e Å^−3
4509 reflections	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
320 parameters	Extinction coefficient: 0.0054 (3)
0 restraints

Special details

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.

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

	x	y	z	Uiso*/Ueq
Cl1	0.78888 (2)	0.57891 (4)	0.07996 (4)	0.07035 (19)
O1	0.52368 (6)	0.05930 (9)	0.15583 (12)	0.0764 (5)
O2	0.61371 (6)	0.33156 (8)	0.24295 (10)	0.0602 (4)
N1	0.54246 (7)	0.47139 (10)	0.16173 (12)	0.0522 (5)
H1	0.5822	0.4647	0.1997	0.063*
N2	0.51565 (8)	0.54772 (11)	0.13116 (12)	0.0578 (5)
C3	0.45413 (9)	0.53496 (12)	0.07730 (14)	0.0461 (5)
C4	0.44102 (8)	0.44439 (12)	0.06988 (13)	0.0392 (5)
C5	0.39070 (9)	0.39390 (12)	0.02176 (13)	0.0426 (5)
H5	0.3514	0.418	−0.0165	0.051*
N6	0.39588 (6)	0.30909 (9)	0.02780 (10)	0.0418 (4)
C7	0.45385 (8)	0.26888 (12)	0.08495 (13)	0.0428 (5)
C8	0.45707 (8)	0.18137 (12)	0.09005 (14)	0.0494 (6)
H8	0.4211	0.1483	0.0564	0.059*
C9	0.51461 (9)	0.14502 (12)	0.14590 (15)	0.0551 (6)
C10	0.56977 (8)	0.19166 (13)	0.19870 (14)	0.0534 (6)
H10	0.6084	0.165	0.2356	0.064*
C11	0.56514 (8)	0.27722 (13)	0.19435 (14)	0.0491 (6)
C12	0.50781 (8)	0.31878 (12)	0.13738 (13)	0.0421 (5)
C13	0.50044 (8)	0.40734 (12)	0.12649 (12)	0.0425 (5)
C14	0.41255 (10)	0.60742 (12)	0.03408 (14)	0.0509 (6)
C15	0.34849 (11)	0.59737 (15)	−0.02688 (17)	0.0746 (8)
H15	0.3307	0.5435	−0.0418	0.089*
C16	0.31062 (14)	0.66828 (17)	−0.0659 (2)	0.0985 (10)
H16	0.2676	0.6611	−0.1069	0.118*
C17	0.33542 (16)	0.74707 (18)	−0.04501 (19)	0.1006 (10)
H17	0.3092	0.7938	−0.0704	0.121*
C18	0.39990 (15)	0.75807 (16)	0.0142 (2)	0.0951 (9)
H18	0.4176	0.8121	0.0278	0.114*
C19	0.43808 (12)	0.68794 (14)	0.05329 (17)	0.0723 (7)
H19	0.4815	0.6954	0.093	0.087*
C20	0.33989 (8)	0.25721 (13)	−0.03431 (14)	0.0501 (6)
H20A	0.3296	0.2115	0.0003	0.06*
H20B	0.3004	0.2923	−0.0575	0.06*
C21	0.35679 (9)	0.22112 (13)	−0.11277 (15)	0.0500 (6)
C22	0.34953 (10)	0.13642 (14)	−0.13350 (18)	0.0663 (7)
H22	0.3358	0.0999	−0.0964	0.08*
C23	0.36238 (12)	0.10501 (17)	−0.2086 (2)	0.0867 (9)
H23	0.3588	0.0474	−0.2211	0.104*
C24	0.38042 (14)	0.1592 (2)	−0.2642 (2)	0.0973 (10)
H24	0.3859	0.1384	−0.3172	0.117*
C25	0.39050 (14)	0.2416 (2)	−0.2448 (2)	0.0999 (10)
H25	0.4057	0.2769	−0.2815	0.12*
C26	0.37780 (11)	0.27301 (16)	−0.16909 (17)	0.0747 (8)
H26	0.3836	0.3304	−0.1559	0.09*
C27	0.46960 (11)	0.00521 (14)	0.1119 (2)	0.0975 (10)
H27A	0.4829	−0.0524	0.1267	0.117*
H27B	0.4566	0.013	0.0471	0.117*
H27C	0.4326	0.0183	0.132	0.117*
C28	0.67716 (9)	0.29728 (14)	0.29535 (17)	0.0727 (8)
H28A	0.7046	0.3411	0.3319	0.087*
H28B	0.6986	0.2744	0.2551	0.087*
H28C	0.6709	0.2534	0.3343	0.087*
O3	0.67917 (8)	0.51291 (11)	0.20757 (14)	0.0959 (6)
O4	0.77065 (7)	0.58612 (11)	0.26118 (12)	0.0974 (6)
H4	0.7777	0.5785	0.2024	0.117*
C29	0.71576 (16)	0.5512 (2)	0.3610 (2)	0.1322 (12)
H29A	0.6861	0.5076	0.3673	0.159*
H29B	0.6994	0.6052	0.372	0.159*
H29C	0.7595	0.542	0.4043	0.159*
C30	0.71908 (12)	0.54928 (16)	0.2716 (2)	0.0733 (8)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cl1	0.0496 (3)	0.0676 (4)	0.0956 (5)	0.0003 (3)	0.0265 (3)	0.0097 (4)
O1	0.0492 (8)	0.0414 (9)	0.1224 (14)	−0.0013 (7)	0.0068 (9)	0.0094 (9)
O2	0.0319 (7)	0.0580 (9)	0.0782 (11)	0.0007 (7)	0.0015 (7)	0.0014 (8)
N1	0.0373 (8)	0.0457 (10)	0.0661 (12)	−0.0100 (8)	0.0072 (8)	−0.0025 (9)
N2	0.0491 (10)	0.0451 (11)	0.0790 (13)	−0.0058 (8)	0.0211 (9)	−0.0047 (10)
C3	0.0439 (11)	0.0435 (12)	0.0564 (14)	−0.0037 (10)	0.0241 (10)	−0.0019 (11)
C4	0.0277 (9)	0.0464 (12)	0.0444 (12)	−0.0008 (9)	0.0133 (9)	−0.0029 (10)
C5	0.0366 (10)	0.0448 (12)	0.0455 (13)	0.0057 (9)	0.0124 (9)	0.0069 (10)
N6	0.0306 (8)	0.0373 (9)	0.0521 (11)	−0.0008 (7)	0.0064 (7)	0.0027 (8)
C7	0.0312 (10)	0.0485 (12)	0.0464 (13)	0.0006 (9)	0.0100 (9)	0.0037 (10)
C8	0.0326 (10)	0.0405 (12)	0.0657 (15)	−0.0042 (9)	0.0038 (10)	0.0058 (11)
C9	0.0476 (12)	0.0374 (12)	0.0808 (17)	0.0036 (10)	0.0220 (12)	0.0115 (12)
C10	0.0307 (10)	0.0494 (13)	0.0723 (16)	0.0024 (10)	0.0065 (10)	0.0143 (12)
C11	0.0325 (10)	0.0547 (14)	0.0584 (14)	−0.0045 (10)	0.0128 (10)	0.0041 (11)
C12	0.0294 (9)	0.0499 (13)	0.0456 (13)	−0.0002 (10)	0.0105 (9)	0.0020 (10)
C13	0.0375 (9)	0.0498 (13)	0.0436 (13)	−0.0060 (10)	0.0180 (9)	−0.0042 (10)
C14	0.0618 (12)	0.0445 (12)	0.0565 (14)	0.0087 (11)	0.0330 (11)	0.0119 (11)
C15	0.0795 (16)	0.0482 (14)	0.0855 (18)	0.0089 (13)	0.0135 (14)	0.0212 (13)
C16	0.0922 (19)	0.089 (2)	0.102 (2)	0.0238 (18)	0.0153 (16)	0.0285 (19)
C17	0.145 (3)	0.0641 (18)	0.095 (2)	0.0338 (18)	0.043 (2)	0.0234 (17)
C18	0.142 (2)	0.0439 (15)	0.111 (2)	0.0070 (17)	0.057 (2)	−0.0003 (16)
C19	0.0925 (16)	0.0417 (14)	0.088 (2)	0.0008 (13)	0.0378 (15)	−0.0061 (13)
C20	0.0313 (10)	0.0496 (13)	0.0620 (15)	−0.0048 (9)	0.0058 (10)	−0.0004 (11)
C21	0.0341 (10)	0.0441 (13)	0.0616 (15)	0.0023 (9)	0.0022 (10)	−0.0018 (12)
C22	0.0513 (13)	0.0439 (14)	0.092 (2)	−0.0003 (11)	0.0078 (13)	−0.0142 (13)
C23	0.0730 (16)	0.0578 (16)	0.113 (2)	0.0083 (13)	0.0087 (16)	−0.0314 (17)
C24	0.108 (2)	0.105 (2)	0.081 (2)	0.0039 (19)	0.0331 (17)	−0.0336 (19)
C25	0.125 (2)	0.096 (2)	0.082 (2)	−0.0118 (19)	0.0390 (18)	−0.0117 (19)
C26	0.0926 (17)	0.0571 (15)	0.0657 (18)	−0.0019 (14)	0.0147 (15)	−0.0073 (14)
C27	0.0671 (16)	0.0459 (14)	0.165 (3)	0.0044 (13)	0.0197 (18)	0.0078 (17)
C28	0.0365 (11)	0.0752 (16)	0.0910 (19)	−0.0025 (12)	0.0005 (12)	0.0002 (15)
O3	0.0662 (10)	0.0992 (14)	0.1188 (16)	−0.0259 (10)	0.0264 (11)	−0.0148 (12)
O4	0.0744 (10)	0.1122 (14)	0.1070 (14)	−0.0436 (11)	0.0322 (10)	−0.0121 (12)
C29	0.168 (3)	0.130 (3)	0.125 (3)	−0.023 (2)	0.085 (2)	−0.014 (2)
C30	0.0578 (14)	0.0750 (18)	0.091 (2)	−0.0101 (14)	0.0293 (14)	−0.0068 (16)

Geometric parameters (Å, º)

O1—C9	1.372 (2)	C17—H17	0.93
O1—C27	1.413 (2)	C18—C19	1.390 (3)
O2—C11	1.362 (2)	C18—H18	0.93
O2—C28	1.429 (2)	C19—H19	0.93
N1—C13	1.341 (2)	C20—C21	1.495 (3)
N1—N2	1.353 (2)	C20—H20A	0.97
N1—H1	0.86	C20—H20B	0.97
N2—C3	1.312 (2)	C21—C22	1.376 (3)
C3—C4	1.458 (3)	C21—C26	1.378 (3)
C3—C14	1.467 (3)	C22—C23	1.377 (4)
C4—C5	1.345 (2)	C22—H22	0.93
C4—C13	1.404 (2)	C23—C24	1.360 (4)
C5—N6	1.348 (2)	C23—H23	0.93
C5—H5	0.93	C24—C25	1.339 (4)
N6—C7	1.408 (2)	C24—H24	0.93
N6—C20	1.502 (2)	C25—C26	1.385 (3)
C7—C8	1.388 (3)	C25—H25	0.93
C7—C12	1.407 (2)	C26—H26	0.93
C8—C9	1.368 (2)	C27—H27A	0.96
C8—H8	0.93	C27—H27B	0.96
C9—C10	1.397 (3)	C27—H27C	0.96
C10—C11	1.358 (3)	C28—H28A	0.96
C10—H10	0.93	C28—H28B	0.96
C11—C12	1.408 (2)	C28—H28C	0.96
C12—C13	1.414 (3)	O3—C30	1.216 (3)
C14—C19	1.378 (3)	O4—C30	1.297 (3)
C14—C15	1.384 (3)	O4—H4	0.981
C15—C16	1.396 (3)	C29—C30	1.416 (4)
C15—H15	0.93	C29—H29A	0.96
C16—C17	1.351 (4)	C29—H29B	0.96
C16—H16	0.93	C29—H29C	0.96
C17—C18	1.383 (4)
C9—O1—C27	118.94 (15)	C17—C18—H18	120.2
C11—O2—C28	118.18 (16)	C19—C18—H18	120.2
C13—N1—N2	112.76 (15)	C14—C19—C18	120.9 (2)
C13—N1—H1	123.6	C14—C19—H19	119.5
N2—N1—H1	123.6	C18—C19—H19	119.5
C3—N2—N1	107.45 (15)	C21—C20—N6	112.36 (15)
N2—C3—C4	108.99 (16)	C21—C20—H20A	109.1
N2—C3—C14	119.45 (17)	N6—C20—H20A	109.1
C4—C3—C14	131.52 (17)	C21—C20—H20B	109.1
C5—C4—C13	118.83 (17)	N6—C20—H20B	109.1
C5—C4—C3	136.40 (17)	H20A—C20—H20B	107.9
C13—C4—C3	104.66 (15)	C22—C21—C26	117.8 (2)
C4—C5—N6	121.47 (16)	C22—C21—C20	121.7 (2)
C4—C5—H5	119.3	C26—C21—C20	120.5 (2)
N6—C5—H5	119.3	C21—C22—C23	120.8 (3)
C5—N6—C7	121.89 (15)	C21—C22—H22	119.6
C5—N6—C20	118.10 (14)	C23—C22—H22	119.6
C7—N6—C20	119.83 (15)	C24—C23—C22	119.2 (3)
C8—C7—C12	120.81 (16)	C24—C23—H23	120.4
C8—C7—N6	120.22 (16)	C22—C23—H23	120.4
C12—C7—N6	118.96 (17)	C25—C24—C23	122.0 (3)
C9—C8—C7	118.20 (17)	C25—C24—H24	119
C9—C8—H8	120.9	C23—C24—H24	119
C7—C8—H8	120.9	C24—C25—C26	118.6 (3)
C8—C9—O1	123.34 (18)	C24—C25—H25	120.7
C8—C9—C10	123.22 (18)	C26—C25—H25	120.7
O1—C9—C10	113.44 (17)	C21—C26—C25	121.4 (2)
C11—C10—C9	117.73 (17)	C21—C26—H26	119.3
C11—C10—H10	121.1	C25—C26—H26	119.3
C9—C10—H10	121.1	O1—C27—H27A	109.5
C10—C11—O2	124.98 (17)	O1—C27—H27B	109.5
C10—C11—C12	122.04 (18)	H27A—C27—H27B	109.5
O2—C11—C12	112.98 (18)	O1—C27—H27C	109.5
C7—C12—C11	117.97 (18)	H27A—C27—H27C	109.5
C7—C12—C13	116.80 (16)	H27B—C27—H27C	109.5
C11—C12—C13	125.21 (17)	O2—C28—H28A	109.5
N1—C13—C4	106.08 (17)	O2—C28—H28B	109.5
N1—C13—C12	131.94 (17)	H28A—C28—H28B	109.5
C4—C13—C12	121.97 (16)	O2—C28—H28C	109.5
C19—C14—C15	118.72 (19)	H28A—C28—H28C	109.5
C19—C14—C3	119.38 (19)	H28B—C28—H28C	109.5
C15—C14—C3	121.89 (19)	C30—O4—H4	117.2
C14—C15—C16	119.8 (2)	C30—C29—H29A	109.5
C14—C15—H15	120.1	C30—C29—H29B	109.5
C16—C15—H15	120.1	H29A—C29—H29B	109.5
C17—C16—C15	121.0 (3)	C30—C29—H29C	109.5
C17—C16—H16	119.5	H29A—C29—H29C	109.5
C15—C16—H16	119.5	H29B—C29—H29C	109.5
C16—C17—C18	119.8 (3)	O3—C30—O4	119.8 (3)
C16—C17—H17	120.1	O3—C30—C29	124.4 (3)
C18—C17—H17	120.1	O4—C30—C29	115.7 (3)
C17—C18—C19	119.6 (2)
C13—N1—N2—C3	2.2 (2)	N2—N1—C13—C4	−1.3 (2)
N1—N2—C3—C4	−2.2 (2)	N2—N1—C13—C12	178.3 (2)
N1—N2—C3—C14	179.86 (17)	C5—C4—C13—N1	176.79 (18)
N2—C3—C4—C5	−174.6 (2)	C3—C4—C13—N1	−0.1 (2)
C14—C3—C4—C5	3.0 (4)	C5—C4—C13—C12	−2.8 (3)
N2—C3—C4—C13	1.4 (2)	C3—C4—C13—C12	−179.69 (18)
C14—C3—C4—C13	179.1 (2)	C7—C12—C13—N1	−176.2 (2)
C13—C4—C5—N6	0.9 (3)	C11—C12—C13—N1	2.0 (4)
C3—C4—C5—N6	176.5 (2)	C7—C12—C13—C4	3.3 (3)
C4—C5—N6—C7	0.4 (3)	C11—C12—C13—C4	−178.49 (19)
C4—C5—N6—C20	−174.67 (17)	N2—C3—C14—C19	−2.2 (3)
C5—N6—C7—C8	179.34 (19)	C4—C3—C14—C19	−179.7 (2)
C20—N6—C7—C8	−5.7 (3)	N2—C3—C14—C15	176.7 (2)
C5—N6—C7—C12	0.2 (3)	C4—C3—C14—C15	−0.7 (4)
C20—N6—C7—C12	175.12 (18)	C19—C14—C15—C16	−1.4 (4)
C12—C7—C8—C9	−1.4 (3)	C3—C14—C15—C16	179.6 (2)
N6—C7—C8—C9	179.46 (18)	C14—C15—C16—C17	−0.1 (4)
C7—C8—C9—O1	−179.5 (2)	C15—C16—C17—C18	1.6 (5)
C7—C8—C9—C10	0.8 (3)	C16—C17—C18—C19	−1.5 (5)
C27—O1—C9—C8	−4.9 (4)	C15—C14—C19—C18	1.6 (4)
C27—O1—C9—C10	174.8 (2)	C3—C14—C19—C18	−179.4 (2)
C8—C9—C10—C11	0.6 (3)	C17—C18—C19—C14	−0.2 (4)
O1—C9—C10—C11	−179.1 (2)	C5—N6—C20—C21	102.8 (2)
C9—C10—C11—O2	178.43 (19)	C7—N6—C20—C21	−72.4 (2)
C9—C10—C11—C12	−1.5 (3)	N6—C20—C21—C22	128.21 (18)
C28—O2—C11—C10	7.0 (3)	N6—C20—C21—C26	−54.4 (2)
C28—O2—C11—C12	−173.02 (18)	C26—C21—C22—C23	−0.5 (3)
C8—C7—C12—C11	0.5 (3)	C20—C21—C22—C23	176.93 (18)
N6—C7—C12—C11	179.72 (17)	C21—C22—C23—C24	−2.1 (3)
C8—C7—C12—C13	178.93 (19)	C22—C23—C24—C25	4.6 (4)
N6—C7—C12—C13	−1.9 (3)	C23—C24—C25—C26	−4.3 (5)
C10—C11—C12—C7	1.0 (3)	C22—C21—C26—C25	0.8 (3)
O2—C11—C12—C7	−178.99 (17)	C20—C21—C26—C25	−176.7 (2)
C10—C11—C12—C13	−177.3 (2)	C24—C25—C26—C21	1.6 (4)
O2—C11—C12—C13	2.8 (3)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1···O3	0.86	2.16	2.826 (2)	134
N1—H1···O2	0.86	2.25	2.741 (2)	117
O4—H4···Cl1	0.98	2.00	2.972 (2)	172