In the title structure, C
14H
20NO
3+·Cl
−, as expected, the pipiridine ring adopts a chair conformation and the carboxylic acid group and the benzene ring are essentially coplanar, forming a conjugated system. In the crystal structure, extended chains are formed through N—H
Cl and O—H
Cl hydrogen bonds.
Supporting information
CCDC reference: 289801
Key indicators
- Single-crystal X-ray study
- T = 296 K
- Mean (C-C) = 0.002 Å
- R factor = 0.032
- wR factor = 0.073
- Data-to-parameter ratio = 19.2
checkCIF/PLATON results
No syntax errors found
Alert level G
FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the
_chemical_formula_sum and _chemical_formula_moiety. This is
usually due to the moiety formula being in the wrong format.
Atom count from _chemical_formula_sum: C14 H20 Cl1 N1 O3
Atom count from _chemical_formula_moiety:C14 H20 N1 O3
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
0 ALERT level C = Check and explain
1 ALERT level G = General alerts; check
1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
0 ALERT type 2 Indicator that the structure model may be wrong or deficient
0 ALERT type 3 Indicator that the structure quality may be low
0 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: PROCESS-AUTO (Rigaku, 1998); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2004); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: CRYSTALS (Betteridge et al., 2003); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: CrystalStructure.
1-[2-(4-Carboxyphenoxy)ethyl]piperidinium chloride
top
Crystal data top
C14H20NO3+·Cl− | Dx = 1.310 Mg m−3 |
Mr = 285.77 | Melting point: 277 K |
Orthorhombic, Pbca | Mo Kα radiation, λ = 0.71075 Å |
Hall symbol: -P 2ac 2ab | Cell parameters from 20969 reflections |
a = 16.777 (4) Å | θ = 3.0–27.5° |
b = 7.4464 (15) Å | µ = 0.27 mm−1 |
c = 23.192 (5) Å | T = 296 K |
V = 2897.3 (11) Å3 | Block, colorless |
Z = 8 | 0.30 × 0.20 × 0.20 mm |
F(000) = 1216.00 | |
Data collection top
Rigaku R-AXIS RAPID diffractometer | 2190 reflections with F2 > 2σ(F2) |
Detector resolution: 10.00 pixels mm-1 | Rint = 0.036 |
ω scans | θmax = 27.5° |
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | h = −21→21 |
Tmin = 0.918, Tmax = 0.948 | k = −9→8 |
26060 measured reflections | l = −30→30 |
3317 independent reflections | |
Refinement top
Refinement on F2 | w = 1/[0.0001Fo2 + σ(Fo2)]/(4Fo2) |
R[F2 > 2σ(F2)] = 0.032 | (Δ/σ)max < 0.001 |
wR(F2) = 0.073 | Δρmax = 0.22 e Å−3 |
S = 1.00 | Δρmin = −0.22 e Å−3 |
3317 reflections | Extinction correction: Larson (1970) |
173 parameters | Extinction coefficient: 438 (28) |
H-atom parameters constrained | |
Special details top
Geometry. The geometry of the title compound is linear |
Refinement. Refinement using all reflections. The weighted R-factor (wR) and
goodness of fit (S) are based on F2. R-factor (gt) are
based on F. The threshold expression of F2 > 2.0
σ(F2) is used only for calculating R-factor (gt). |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Cl1 | 0.60784 (2) | 0.15467 (5) | 0.188580 (10) | 0.04496 (9) | |
O1 | 0.72054 (6) | 0.28477 (16) | 0.54758 (4) | 0.0651 (3) | |
O2 | 0.61229 (6) | 0.45127 (13) | 0.56284 (4) | 0.0579 (3) | |
O3 | 0.64593 (6) | 0.61350 (12) | 0.29911 (4) | 0.0505 (2) | |
N1 | 0.60721 (6) | 0.57138 (14) | 0.17082 (4) | 0.0372 (2) | |
C1 | 0.67032 (9) | 0.38568 (19) | 0.52976 (6) | 0.0451 (4) | |
C2 | 0.66449 (8) | 0.44739 (17) | 0.46900 (6) | 0.0388 (3) | |
C3 | 0.72244 (9) | 0.39612 (18) | 0.43019 (6) | 0.0447 (4) | |
C4 | 0.71908 (9) | 0.44754 (19) | 0.37279 (6) | 0.0452 (4) | |
C5 | 0.65582 (9) | 0.55105 (17) | 0.35432 (6) | 0.0402 (3) | |
C6 | 0.59629 (9) | 0.60075 (19) | 0.39258 (6) | 0.0451 (4) | |
C7 | 0.60125 (9) | 0.55098 (18) | 0.44966 (6) | 0.0428 (3) | |
C8 | 0.70016 (8) | 0.5544 (2) | 0.25620 (6) | 0.0464 (4) | |
C9 | 0.68015 (9) | 0.6428 (2) | 0.19964 (6) | 0.0478 (4) | |
C10 | 0.61381 (10) | 0.5954 (2) | 0.10674 (6) | 0.0542 (4) | |
C11 | 0.54184 (11) | 0.5223 (2) | 0.07616 (6) | 0.0596 (5) | |
C12 | 0.46492 (11) | 0.6004 (2) | 0.09901 (6) | 0.0675 (5) | |
C13 | 0.46019 (9) | 0.5762 (2) | 0.16346 (6) | 0.0601 (4) | |
C14 | 0.53204 (9) | 0.6522 (2) | 0.19371 (6) | 0.0529 (4) | |
H3 | 0.7670 | 0.3219 | 0.4436 | 0.053* | |
H4 | 0.7607 | 0.4101 | 0.3457 | 0.054* | |
H6 | 0.5509 | 0.6714 | 0.3788 | 0.054* | |
H7 | 0.5599 | 0.5894 | 0.4768 | 0.051* | |
H82 | 0.7543 | 0.5840 | 0.2675 | 0.055* | |
H81 | 0.6953 | 0.4253 | 0.2517 | 0.055* | |
H101 | 0.6181 | 0.7228 | 0.0985 | 0.065* | |
H102 | 0.6612 | 0.5343 | 0.0930 | 0.065* | |
H121 | 0.4638 | 0.7279 | 0.0904 | 0.081* | |
H122 | 0.4198 | 0.5420 | 0.0807 | 0.081* | |
H132 | 0.4123 | 0.6338 | 0.1778 | 0.072* | |
H131 | 0.4579 | 0.4485 | 0.1716 | 0.072* | |
H141 | 0.5279 | 0.6302 | 0.2348 | 0.064* | |
H142 | 0.5338 | 0.7805 | 0.1867 | 0.064* | |
H91 | 0.7250 | 0.6294 | 0.1736 | 0.057* | |
H92 | 0.6712 | 0.7692 | 0.2072 | 0.057* | |
H112 | 0.5461 | 0.5486 | 0.0353 | 0.072* | |
H111 | 0.5404 | 0.3932 | 0.0818 | 0.071* | |
H201 | 0.6191 | 0.4220 | 0.6014 | 0.070* | |
H222 | 0.6052 | 0.4580 | 0.1778 | 0.045* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Cl1 | 0.0478 (2) | 0.04361 (19) | 0.04346 (19) | −0.00131 (18) | −0.00013 (16) | 0.00247 (14) |
O1 | 0.0619 (7) | 0.0771 (7) | 0.0563 (6) | 0.0199 (6) | −0.0085 (5) | 0.0112 (5) |
O2 | 0.0637 (7) | 0.0634 (6) | 0.0467 (5) | 0.0107 (6) | 0.0057 (5) | 0.0098 (5) |
O3 | 0.0536 (6) | 0.0571 (6) | 0.0409 (5) | 0.0143 (5) | 0.0003 (4) | 0.0022 (4) |
N1 | 0.0386 (6) | 0.0362 (5) | 0.0367 (5) | −0.0035 (5) | 0.0010 (5) | 0.0013 (4) |
C1 | 0.0444 (8) | 0.0415 (8) | 0.0493 (8) | −0.0037 (7) | −0.0050 (7) | 0.0004 (6) |
C2 | 0.0368 (7) | 0.0339 (6) | 0.0458 (7) | −0.0036 (6) | −0.0047 (6) | −0.0015 (6) |
C3 | 0.0420 (8) | 0.0424 (7) | 0.0496 (8) | 0.0084 (6) | −0.0071 (6) | −0.0007 (6) |
C4 | 0.0410 (8) | 0.0485 (8) | 0.0460 (7) | 0.0084 (7) | −0.0005 (6) | −0.0061 (6) |
C5 | 0.0416 (8) | 0.0360 (6) | 0.0429 (7) | 0.0001 (6) | −0.0050 (6) | −0.0014 (6) |
C6 | 0.0397 (8) | 0.0444 (8) | 0.0511 (8) | 0.0105 (6) | −0.0027 (6) | 0.0034 (6) |
C7 | 0.0390 (8) | 0.0414 (7) | 0.0479 (7) | 0.0029 (6) | 0.0041 (6) | −0.0001 (6) |
C8 | 0.0373 (8) | 0.0564 (8) | 0.0455 (7) | −0.0008 (7) | −0.0033 (6) | −0.0052 (7) |
C9 | 0.0403 (8) | 0.0567 (9) | 0.0463 (8) | −0.0121 (7) | −0.0013 (6) | 0.0004 (7) |
C10 | 0.0607 (10) | 0.0632 (10) | 0.0386 (7) | −0.0084 (8) | 0.0025 (7) | 0.0089 (6) |
C11 | 0.0675 (11) | 0.0731 (11) | 0.0380 (8) | −0.0062 (9) | −0.0093 (7) | 0.0045 (7) |
C12 | 0.0648 (11) | 0.0633 (11) | 0.0745 (11) | 0.0120 (9) | −0.0287 (9) | −0.0023 (8) |
C13 | 0.0379 (8) | 0.0723 (10) | 0.0699 (10) | 0.0092 (8) | −0.0043 (7) | −0.0187 (9) |
C14 | 0.0442 (9) | 0.0567 (9) | 0.0579 (9) | 0.0029 (8) | 0.0019 (7) | −0.0167 (7) |
Geometric parameters (Å, º) top
O1—C1 | 1.2022 (18) | N1—H222 | 0.860 |
O2—C1 | 1.3323 (18) | C3—H3 | 0.980 |
O3—C5 | 1.3723 (16) | C4—H4 | 0.980 |
O3—C8 | 1.4184 (16) | C6—H6 | 0.980 |
N1—C9 | 1.4922 (18) | C7—H7 | 0.980 |
N1—C10 | 1.5010 (16) | C8—H82 | 0.970 |
N1—C14 | 1.4947 (18) | C8—H81 | 0.970 |
C1—C2 | 1.4854 (19) | C9—H91 | 0.970 |
C2—C3 | 1.3788 (19) | C9—H92 | 0.970 |
C2—C7 | 1.3863 (19) | C10—H101 | 0.970 |
C3—C4 | 1.3863 (19) | C10—H102 | 0.970 |
C4—C5 | 1.380 (2) | C11—H112 | 0.970 |
C5—C6 | 1.386 (2) | C11—H111 | 0.970 |
C6—C7 | 1.3772 (19) | C12—H121 | 0.970 |
C8—C9 | 1.505 (2) | C12—H122 | 0.970 |
C10—C11 | 1.502 (2) | C13—H132 | 0.970 |
C11—C12 | 1.511 (2) | C13—H131 | 0.970 |
C12—C13 | 1.508 (2) | C14—H141 | 0.970 |
C13—C14 | 1.505 (2) | C14—H142 | 0.970 |
O2—H201 | 0.928 | | |
| | | |
Cl1···O2 | 3.0219 (9) | H7···H3 | 3.468 |
Cl1···N1 | 3.1302 (11) | H7···H7 | 2.639 |
Cl1···C9 | 3.5672 (15) | H7···H101 | 3.298 |
O1···C1 | 3.5150 (18) | H7···H121 | 3.375 |
O1···C10 | 3.2252 (19) | H7···H121 | 3.137 |
O2···Cl1 | 3.0219 (9) | H7···H112 | 3.026 |
O2···C7 | 3.5942 (19) | H7···H111 | 3.130 |
O2···C10 | 3.5260 (19) | H7···H201 | 3.510 |
N1···Cl1 | 3.1302 (11) | H82···Cl1 | 2.996 |
C1···O1 | 3.5150 (18) | H82···C8 | 3.594 |
C7···O2 | 3.5942 (19) | H82···H4 | 3.041 |
C9···Cl1 | 3.5672 (15) | H82···H81 | 2.703 |
C10···O1 | 3.2252 (19) | H82···H132 | 2.962 |
C10···O2 | 3.5260 (19) | H82···H92 | 3.002 |
Cl1···H6 | 3.089 | H81···Cl1 | 2.891 |
Cl1···H82 | 2.996 | H81···C8 | 3.274 |
Cl1···H81 | 2.891 | H81···C9 | 3.202 |
Cl1···H132 | 3.120 | H81···H82 | 2.703 |
Cl1···H131 | 3.358 | H81···H132 | 3.262 |
Cl1···H141 | 2.894 | H81···H91 | 3.151 |
Cl1···H142 | 3.050 | H81···H92 | 2.727 |
Cl1···H91 | 2.832 | H101···O1 | 2.954 |
Cl1···H92 | 3.091 | H101···O2 | 2.566 |
Cl1···H111 | 3.252 | H101···C1 | 3.437 |
Cl1···H201 | 2.109 | H101···H7 | 3.298 |
Cl1···H222 | 2.273 | H101···H201 | 2.646 |
O1···H101 | 2.954 | H102···O1 | 2.783 |
O1···H102 | 2.783 | H102···O1 | 2.619 |
O1···H102 | 2.619 | H102···C1 | 3.457 |
O1···H91 | 3.128 | H102···C1 | 3.239 |
O1···H111 | 3.394 | H102···H201 | 3.476 |
O2···H6 | 3.188 | H121···O2 | 3.511 |
O2···H7 | 3.047 | H121···C2 | 3.033 |
O2···H101 | 2.566 | H121···C3 | 3.400 |
O2···H121 | 3.511 | H121···C4 | 3.580 |
O2···H111 | 2.869 | H121···C5 | 3.385 |
O3···H4 | 2.915 | H121···C6 | 2.980 |
O3···H131 | 3.117 | H121···C7 | 2.801 |
C1···H101 | 3.437 | H121···H6 | 3.388 |
C1···H102 | 3.457 | H121···H7 | 3.375 |
C1···H102 | 3.239 | H121···H7 | 3.137 |
C1···H111 | 3.244 | H121···H112 | 3.573 |
C2···H3 | 3.074 | H122···C2 | 3.528 |
C2···H121 | 3.033 | H122···C3 | 3.566 |
C2···H122 | 3.528 | H122···C3 | 3.495 |
C3···H3 | 3.191 | H122···C6 | 3.355 |
C3···H121 | 3.400 | H122···H3 | 3.095 |
C3···H122 | 3.566 | H122···H4 | 3.318 |
C3···H122 | 3.495 | H122···H6 | 2.956 |
C4···H3 | 3.243 | H122···H112 | 2.833 |
C4···H4 | 3.518 | H132···Cl1 | 3.120 |
C4···H121 | 3.580 | H132···C4 | 3.420 |
C4···H132 | 3.420 | H132···C5 | 3.393 |
C5···H3 | 3.167 | H132···H4 | 3.599 |
C5···H4 | 3.026 | H132···H4 | 3.089 |
C5···H121 | 3.385 | H132···H82 | 2.962 |
C5···H132 | 3.393 | H132···H81 | 3.262 |
C5···H131 | 3.572 | H131···Cl1 | 3.358 |
C6···H3 | 3.061 | H131···O3 | 3.117 |
C6···H4 | 3.500 | H131···C5 | 3.572 |
C6···H121 | 2.980 | H131···C6 | 3.123 |
C6···H122 | 3.355 | H131···H4 | 3.345 |
C6···H131 | 3.123 | H131···H6 | 2.376 |
C6···H111 | 3.218 | H131···H141 | 3.222 |
C7···H3 | 2.996 | H131···H142 | 3.519 |
C7···H7 | 3.363 | H141···Cl1 | 2.894 |
C7···H121 | 2.801 | H141···H131 | 3.222 |
C7···H111 | 3.560 | H141···H142 | 3.341 |
C8···H4 | 3.428 | H142···Cl1 | 3.050 |
C8···H82 | 3.594 | H142···H6 | 3.577 |
C8···H81 | 3.274 | H142···H131 | 3.519 |
C8···H92 | 3.234 | H142···H141 | 3.341 |
C9···H81 | 3.202 | H142···H201 | 3.296 |
C10···H201 | 3.597 | H91···Cl1 | 2.832 |
C11···H6 | 3.215 | H91···O1 | 3.128 |
C11···H112 | 3.024 | H91···H81 | 3.151 |
C12···H6 | 3.246 | H91···H92 | 3.292 |
C12···H112 | 3.312 | H91···H201 | 3.128 |
C13···H4 | 3.575 | H92···Cl1 | 3.091 |
C13···H6 | 3.175 | H92···C8 | 3.234 |
H3···C2 | 3.074 | H92···H4 | 3.566 |
H3···C3 | 3.191 | H92···H82 | 3.002 |
H3···C4 | 3.243 | H92···H81 | 2.727 |
H3···C5 | 3.167 | H92···H91 | 3.292 |
H3···C6 | 3.061 | H92···H201 | 3.474 |
H3···C7 | 2.996 | H112···C11 | 3.024 |
H3···H6 | 3.585 | H112···C12 | 3.312 |
H3···H7 | 3.468 | H112···H7 | 3.026 |
H3···H122 | 3.095 | H112···H121 | 3.573 |
H4···O3 | 2.915 | H112···H122 | 2.833 |
H4···C4 | 3.518 | H112···H112 | 2.367 |
H4···C5 | 3.026 | H112···H111 | 3.109 |
H4···C6 | 3.500 | H111···Cl1 | 3.252 |
H4···C8 | 3.428 | H111···O1 | 3.394 |
H4···C13 | 3.575 | H111···O2 | 2.869 |
H4···H82 | 3.041 | H111···C1 | 3.244 |
H4···H122 | 3.318 | H111···C6 | 3.218 |
H4···H132 | 3.599 | H111···C7 | 3.560 |
H4···H132 | 3.089 | H111···H6 | 2.431 |
H4···H131 | 3.345 | H111···H7 | 3.130 |
H4···H92 | 3.566 | H111···H112 | 3.109 |
H6···Cl1 | 3.089 | H111···H201 | 2.732 |
H6···O2 | 3.188 | H201···Cl1 | 2.109 |
H6···C11 | 3.215 | H201···C10 | 3.597 |
H6···C12 | 3.246 | H201···H6 | 2.971 |
H6···C13 | 3.175 | H201···H7 | 3.510 |
H6···H3 | 3.585 | H201···H101 | 2.646 |
H6···H121 | 3.388 | H201···H102 | 3.476 |
H6···H122 | 2.956 | H201···H142 | 3.296 |
H6···H131 | 2.376 | H201···H91 | 3.128 |
H6···H142 | 3.577 | H201···H92 | 3.474 |
H6···H111 | 2.431 | H201···H111 | 2.732 |
H6···H201 | 2.971 | H201···H222 | 3.346 |
H7···O2 | 3.047 | H222···Cl1 | 2.273 |
H7···C7 | 3.363 | H222···H201 | 3.346 |
| | | |
C5—O3—C8 | 118.16 (10) | O3—C8—H82 | 109.9 |
C9—N1—C10 | 109.91 (10) | O3—C8—H81 | 109.2 |
C9—N1—C14 | 112.92 (10) | C9—C8—H82 | 110.1 |
C10—N1—C14 | 111.47 (10) | C9—C8—H81 | 108.7 |
O1—C1—O2 | 122.91 (12) | H82—C8—H81 | 109.5 |
O1—C1—C2 | 124.45 (13) | N1—C9—H91 | 108.7 |
O2—C1—C2 | 112.63 (11) | N1—C9—H92 | 107.4 |
C1—C2—C3 | 119.16 (12) | C8—C9—H91 | 108.9 |
C1—C2—C7 | 121.97 (12) | C8—C9—H92 | 107.5 |
C3—C2—C7 | 118.85 (12) | H91—C9—H92 | 109.5 |
C2—C3—C4 | 121.45 (13) | N1—C10—H101 | 108.4 |
C3—C4—C5 | 118.92 (13) | N1—C10—H102 | 109.3 |
O3—C5—C4 | 124.89 (12) | C11—C10—H101 | 108.7 |
O3—C5—C6 | 114.81 (12) | C11—C10—H102 | 109.4 |
C4—C5—C6 | 120.30 (12) | H101—C10—H102 | 109.5 |
C5—C6—C7 | 119.99 (13) | C10—C11—H112 | 109.2 |
C2—C7—C6 | 120.46 (13) | C10—C11—H111 | 108.4 |
O3—C8—C9 | 109.43 (11) | C12—C11—H112 | 109.1 |
N1—C9—C8 | 114.67 (11) | C12—C11—H111 | 108.2 |
N1—C10—C11 | 111.41 (12) | H112—C11—H111 | 109.5 |
C10—C11—C12 | 112.41 (13) | C11—C12—H121 | 108.7 |
C11—C12—C13 | 110.28 (13) | C11—C12—H122 | 109.9 |
C12—C13—C14 | 112.03 (13) | C13—C12—H121 | 108.7 |
N1—C14—C13 | 111.03 (11) | C13—C12—H122 | 109.8 |
C1—O2—H201 | 112.3 | H121—C12—H122 | 109.5 |
C9—N1—H222 | 107.3 | C12—C13—H132 | 109.4 |
C10—N1—H222 | 107.8 | C12—C13—H131 | 108.2 |
C14—N1—H222 | 107.2 | C14—C13—H132 | 109.7 |
C2—C3—H3 | 119.2 | C14—C13—H131 | 108.0 |
C4—C3—H3 | 119.4 | H132—C13—H131 | 109.5 |
C3—C4—H4 | 120.6 | N1—C14—H141 | 110.0 |
C5—C4—H4 | 120.5 | N1—C14—H142 | 108.1 |
C5—C6—H6 | 119.6 | C13—C14—H141 | 109.7 |
C7—C6—H6 | 120.4 | C13—C14—H142 | 108.5 |
C2—C7—H7 | 119.7 | H141—C14—H142 | 109.5 |
C6—C7—H7 | 119.8 | | |
| | | |
C5—O3—C8—C9 | −178.32 (11) | C1—C2—C7—C6 | −177.76 (13) |
C8—O3—C5—C4 | 6.33 (19) | C3—C2—C7—C6 | 0.4 (2) |
C8—O3—C5—C6 | −174.09 (11) | C7—C2—C3—C4 | 0.7 (2) |
C9—N1—C10—C11 | 179.12 (12) | C2—C3—C4—C5 | −0.5 (2) |
C10—N1—C9—C8 | −152.26 (12) | C3—C4—C5—O3 | 178.84 (12) |
C9—N1—C14—C13 | −179.95 (11) | C3—C4—C5—C6 | −0.7 (2) |
C14—N1—C9—C8 | 82.59 (14) | O3—C5—C6—C7 | −177.81 (12) |
C10—N1—C14—C13 | 55.74 (15) | C4—C5—C6—C7 | 1.8 (2) |
C14—N1—C10—C11 | −54.90 (16) | C5—C6—C7—C2 | −1.6 (2) |
O1—C1—C2—C3 | −4.0 (2) | O3—C8—C9—N1 | −73.73 (14) |
O1—C1—C2—C7 | 174.10 (14) | N1—C10—C11—C12 | 54.20 (17) |
O2—C1—C2—C3 | 177.40 (12) | C10—C11—C12—C13 | −53.60 (18) |
O2—C1—C2—C7 | −4.47 (18) | C11—C12—C13—C14 | 54.44 (18) |
C1—C2—C3—C4 | 178.91 (12) | C12—C13—C14—N1 | −56.07 (17) |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O2—H201···Cl1i | 0.93 | 2.11 | 3.0219 (9) | 168 |
N1—H222···Cl1 | 0.86 | 2.27 | 3.1302 (11) | 174 |
Symmetry code: (i) x, −y+1/2, z+1/2. |