Aqua­(salicyl­idene-β-alaninato-κ2O,O′)potassium(I)

Gao, X.-S.; Wan, Y.-M.; Zhou, Q.; Shi, Y.-X.; Wang, J.-T.

doi:10.1107/S1600536807017199

Aqua(salicylidene-β-alaninato-κ²O,O′)potassium(I)

X.-S. Gao, Y.-M. Wan, Q. Zhou, Y.-X. Shi and J.-T. Wang

In the molecule of the title compound, [K(C₁₀H₉NO₃)(H₂O)], the dihedral angle between the planes of the salicylidene and alanine units is 73.7 (3)°. In the crystal structure, intermolecular O—H

O hydrogen bonds link the molecules into a two-dimensional layer.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807017199/hk2219sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536807017199/hk2219Isup2.hkl Contains datablock I

CCDC reference: 647239

checkCIF report

Key indicators

Single-crystal X-ray study
T = 294 K
Mean (C-C) = 0.007 Å
R factor = 0.060
wR factor = 0.142
Data-to-parameter ratio = 16.8

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT350_ALERT_3_A Short   C-H Bond (0.96A)   C2     -   H7_e   ...       0.62 Ang.
PLAT351_ALERT_3_A Long    C-H Bond (0.96A)   C5     -   H3_d   ...       1.28 Ang.
PLAT353_ALERT_3_A Long    N-H Bond (0.87A)   N1     -   H2_d   ...       1.33 Ang.
PLAT366_ALERT_2_A Short? C(sp?)-C(sp?) Bond  C2     -   C7_e   ...       0.78 Ang.
PLAT601_ALERT_2_A Structure Contains Solvent Accessible VOIDS of .     485.00 A   3 

Alert level B
PLAT351_ALERT_3_B Long    C-H Bond (0.96A)   C3     -   H7_e   ...       1.17 Ang.

Alert level C
PLAT030_ALERT_1_C _diffrn_reflns_number .LE.  _reflns_number_total          ?
PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms .....          3
PLAT320_ALERT_2_C Check Hybridisation of  C1     in Main Residue .          ?
PLAT320_ALERT_2_C Check Hybridisation of  C2     in Main Residue .          ?
PLAT320_ALERT_2_C Check Hybridisation of  C3     in Main Residue .          ?
PLAT320_ALERT_2_C Check Hybridisation of  C4     in Main Residue .          ?
PLAT320_ALERT_2_C Check Hybridisation of  C5     in Main Residue .          ?
PLAT320_ALERT_2_C Check Hybridisation of  C7     in Main Residue .          ?
PLAT320_ALERT_2_C Check Hybridisation of  C8     in Main Residue .          ?
PLAT320_ALERT_2_C Check Hybridisation of  C9     in Main Residue .          ?
PLAT322_ALERT_2_C Check Hybridisation of  N1     in Main Residue .          ?
PLAT322_ALERT_2_C Check Hybridisation of  H2     in Main Residue .          ?
PLAT322_ALERT_2_C Check Hybridisation of  H4     in Main Residue .          ?
PLAT322_ALERT_2_C Check Hybridisation of  H7     in Main Residue .          ?
PLAT322_ALERT_2_C Check Hybridisation of  H8B    in Main Residue .          ?
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7
PLAT350_ALERT_3_C Short   C-H Bond (0.96A)   C4     -   H4_b   ...       0.83 Ang.
PLAT350_ALERT_3_C Short   C-H Bond (0.96A)   C7     -   H2_d   ...       0.80 Ang.
PLAT362_ALERT_2_C Short  C(sp3)-C(sp2) Bond  C5     -   C6     ...       1.41 Ang.
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C1     -   C8_e   ...       1.30 Ang.
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C2     -   C3     ...       1.38 Ang.
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C3     -   C4     ...       1.39 Ang.
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C4     -   C5     ...       1.36 Ang.
PLAT751_ALERT_4_C Bond    Calc     1.27073, Rep    1.271(3) ......  Senseless su
              O1   -C1      1.555   1.555
PLAT751_ALERT_4_C Bond    Calc     1.29356, Rep    1.293(5) ......  Senseless su
              N1   -C7      1.555   1.555
PLAT751_ALERT_4_C Bond    Calc     1.45874, Rep    1.458(4) ......  Senseless su
              N1   -C8      1.555   1.555
PLAT751_ALERT_4_C Bond    Calc     1.45050, Rep    1.451(4) ......  Senseless su
              C1   -C6      1.555   1.555
PLAT751_ALERT_4_C Bond    Calc     1.37605, Rep    1.377(5) ......  Senseless su
              C2   -C3      1.555   1.555
PLAT752_ALERT_4_C Angle   Calc      157.21, Rep    157.2(2) ......  Senseless su
              C1   -O1   -K1      1.555   1.555   1.555
PLAT752_ALERT_4_C Angle   Calc      125.05, Rep    125.1(3) ......  Senseless su
              C7   -N1   -C8      1.555   1.555   1.555
PLAT752_ALERT_4_C Angle   Calc      122.74, Rep  122.76(15) ......  Senseless su
              O1   -C1   -C2      1.555   1.555   1.555
PLAT752_ALERT_4_C Angle   Calc      121.93, Rep    121.9(2) ......  Senseless su
              O1   -C1   -C6      1.555   1.555   1.555
PLAT752_ALERT_4_C Angle   Calc      115.33, Rep  115.35(18) ......  Senseless su
              C2   -C1   -C6      1.555   1.555   1.555
PLAT752_ALERT_4_C Angle   Calc      122.15, Rep    122.1(2) ......  Senseless su
              C3   -C2   -C1      1.555   1.555   1.555
PLAT752_ALERT_4_C Angle   Calc      121.65, Rep    121.6(4) ......  Senseless su
              C2   -C3   -C4      1.555   1.555   1.555
PLAT752_ALERT_4_C Angle   Calc      119.89, Rep    119.9(3) ......  Senseless su
              C7   -C6   -C1      1.555   1.555   1.555
PLAT752_ALERT_4_C Angle   Calc      120.00, Rep    120.0(4) ......  Senseless su
              C5   -C6   -C1      1.555   1.555   1.555
PLAT752_ALERT_4_C Angle   Calc      123.06, Rep    123.1(4) ......  Senseless su
              N1   -C7   -C6      1.555   1.555   1.555
PLAT752_ALERT_4_C Angle   Calc      109.72, Rep    109.7(3) ......  Senseless su
              N1   -C8   -C9      1.555   1.555   1.555
PLAT753_ALERT_4_C Torsion Calc       12.56, Rep     12.6(5) ......  Senseless su
              O1W -K1  -O1  -C1     1.555   1.555   1.555   1.555
PLAT753_ALERT_4_C Torsion Calc      134.43, Rep    134.5(6) ......  Senseless su
              O2  -K1  -O1  -C1     1.555   1.555   1.555   1.555
PLAT753_ALERT_4_C Torsion Calc       54.67, Rep     54.7(6) ......  Senseless su
              K1  -K1  -O1  -C1     3.566   1.555   1.555   1.555
PLAT753_ALERT_4_C Torsion Calc       42.52, Rep     42.5(6) ......  Senseless su
              K1  -O1  -C1  -C2     1.555   1.555   1.555   1.555
PLAT753_ALERT_4_C Torsion Calc     -136.68, Rep   -136.7(5) ......  Senseless su
              K1  -O1  -C1  -C6     1.555   1.555   1.555   1.555
PLAT753_ALERT_4_C Torsion Calc      179.93, Rep    179.9(4) ......  Senseless su
              O1  -C1  -C2  -C3     1.555   1.555   1.555   1.555
PLAT753_ALERT_4_C Torsion Calc       -0.83, Rep     -0.8(3) ......  Senseless su
              C6  -C1  -C2  -C3     1.555   1.555   1.555   1.555
PLAT753_ALERT_4_C Torsion Calc        0.38, Rep      0.4(6) ......  Senseless su
              C1  -C2  -C3  -C4     1.555   1.555   1.555   1.555
PLAT753_ALERT_4_C Torsion Calc       -0.64, Rep     -0.7(6) ......  Senseless su
              C4  -C5  -C6  -C1     1.555   1.555   1.555   1.555
PLAT753_ALERT_4_C Torsion Calc        0.76, Rep      0.8(5) ......  Senseless su
              O1  -C1  -C6  -C7     1.555   1.555   1.555   1.555
PLAT753_ALERT_4_C Torsion Calc     -178.50, Rep   -178.5(3) ......  Senseless su
              C2  -C1  -C6  -C7     1.555   1.555   1.555   1.555
PLAT753_ALERT_4_C Torsion Calc     -179.80, Rep   -179.8(3) ......  Senseless su
              O1  -C1  -C6  -C5     1.555   1.555   1.555   1.555
PLAT753_ALERT_4_C Torsion Calc        0.94, Rep      0.9(4) ......  Senseless su
              C2  -C1  -C6  -C5     1.555   1.555   1.555   1.555
PLAT753_ALERT_4_C Torsion Calc      175.57, Rep    175.6(4) ......  Senseless su
              C8  -N1  -C7  -C6     1.555   1.555   1.555   1.555
PLAT753_ALERT_4_C Torsion Calc     -178.64, Rep   -178.7(4) ......  Senseless su
              C5  -C6  -C7  -N1     1.555   1.555   1.555   1.555
PLAT753_ALERT_4_C Torsion Calc        0.80, Rep      0.8(6) ......  Senseless su
              C1  -C6  -C7  -N1     1.555   1.555   1.555   1.555
PLAT753_ALERT_4_C Torsion Calc     -113.66, Rep   -113.6(4) ......  Senseless su
              C7  -N1  -C8  -C9     1.555   1.555   1.555   1.555
PLAT753_ALERT_4_C Torsion Calc      -57.71, Rep    -57.8(4) ......  Senseless su
              N1  -C8  -C9  -C10    1.555   1.555   1.555   1.555

   5 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
  57 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
  20 ALERT type 2 Indicator that the structure model may be wrong or deficient
   8 ALERT type 3 Indicator that the structure quality may be low
  34 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Computing details top

Data collection: CAD-4 Software (Enraf–Nonius, 1989); cell refinement: CAD-4 Software; data reduction: XCAD4 (Harms & Wocadlo, 1995); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2000); software used to prepare material for publication: SHELXTL.

Aqua(salicylidene-β-alaninato-κ²O,O')potassium(I) top

Crystal data top

[K(C₁₀H₉NO₃)(H₂O)]	F(000) = 516
M_r = 248.30	D_x = 1.410 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yc	Cell parameters from 25 reflections
a = 17.792 (4) Å	θ = 9–12°
b = 7.9920 (16) Å	µ = 0.45 mm⁻¹
c = 8.3590 (17) Å	T = 294 K
β = 100.29 (3)°	Block, colorless
V = 1169.5 (4) Å³	0.30 × 0.30 × 0.10 mm
Z = 4

Data collection top

Nonius CAD-4 diffractometer	1477 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	R_int = 0.000
Graphite monochromator	θ_max = 26.0°, θ_min = 1.2°
ω/2θ scans	h = −21→21
Absorption correction: ψ scan (North et al., 1968)	k = 0→9
T_min = 0.876, T_max = 0.956	l = 0→10
2289 measured reflections	3 standard reflections every 120 min
2289 independent reflections	intensity decay: none

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.060	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.142	H-atom parameters constrained
S = 1.03	w = 1/[σ²(F_o²) + (0.0497P)² + 0.8368P] where P = (F_o² + 2F_c²)/3
2289 reflections	(Δ/σ)_max < 0.001
136 parameters	Δρ_max = 0.40 e Å⁻³
0 restraints	Δρ_min = −0.40 e Å⁻³

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

	x	y	z	U_iso*/U_eq
K1	0.09787 (5)	0.29832 (11)	0.46274 (10)	0.0450 (3)
O1	0.24818 (16)	0.3775 (4)	0.5024 (3)	0.0613 (8)
O2	0.11341 (15)	0.4556 (3)	0.1794 (3)	0.0444 (7)
O3	0.05205 (16)	0.6977 (4)	0.1716 (4)	0.0617 (8)
O1W	0.06474 (10)	0.4638 (2)	0.7220 (2)	0.0593 (8)
H4B	0.0116	0.4980	0.7058	0.071*
H4A	0.0974	0.5605	0.7495	0.071*
N1	0.27039 (10)	0.5358 (2)	0.2451 (2)	0.0485 (8)
C1	0.31233 (10)	0.4326 (2)	0.5746 (2)	0.0507 (10)
C2	0.34179 (10)	0.3983 (2)	0.7406 (2)	0.0665 (13)
H2	0.3131	0.3329	0.7994	0.080*
C3	0.4114 (3)	0.4586 (7)	0.8173 (6)	0.0765 (15)
H3	0.4286	0.4325	0.9261	0.092*
C4	0.4568 (3)	0.5579 (7)	0.7361 (6)	0.0733 (14)
H4	0.5037	0.5977	0.7896	0.088*
C5	0.4312 (2)	0.5953 (6)	0.5775 (6)	0.0643 (13)
H5	0.4615	0.6613	0.5228	0.077*
C6	0.3602 (2)	0.5373 (5)	0.4926 (5)	0.0488 (10)
C7	0.3354 (2)	0.5822 (5)	0.3285 (5)	0.0524 (11)
H7	0.3672	0.6483	0.2780	0.063*
C8	0.2400 (2)	0.5883 (6)	0.0790 (5)	0.0551 (11)
H8A	0.2270	0.4906	0.0108	0.066*
H8B	0.2783	0.6517	0.0359	0.066*
C9	0.1697 (2)	0.6948 (5)	0.0771 (5)	0.0495 (10)
H9A	0.1498	0.7274	−0.0342	0.059*
H9B	0.1843	0.7960	0.1389	0.059*
C10	0.1065 (2)	0.6081 (5)	0.1470 (4)	0.0391 (9)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
K1	0.0558 (5)	0.0399 (5)	0.0398 (4)	−0.0051 (4)	0.0102 (4)	0.0048 (4)
O1	0.0562 (17)	0.066 (2)	0.0624 (19)	−0.0135 (16)	0.0133 (15)	0.0083 (16)
O2	0.0620 (17)	0.0295 (15)	0.0441 (15)	−0.0014 (12)	0.0158 (13)	0.0026 (12)
O3	0.0577 (17)	0.0392 (16)	0.092 (2)	0.0053 (15)	0.0224 (16)	−0.0063 (16)
O1W	0.0700 (19)	0.0378 (16)	0.074 (2)	0.0004 (14)	0.0243 (16)	0.0033 (15)
N1	0.0465 (19)	0.050 (2)	0.050 (2)	−0.0004 (17)	0.0135 (16)	0.0027 (17)
C1	0.051 (2)	0.044 (2)	0.057 (3)	0.009 (2)	0.010 (2)	−0.002 (2)
C2	0.076 (3)	0.057 (3)	0.069 (3)	0.009 (3)	0.019 (3)	0.005 (3)
C3	0.079 (4)	0.086 (4)	0.056 (3)	0.018 (3)	−0.008 (3)	−0.003 (3)
C4	0.057 (3)	0.087 (4)	0.073 (3)	0.000 (3)	0.004 (3)	−0.015 (3)
C5	0.048 (2)	0.073 (3)	0.075 (3)	−0.003 (2)	0.019 (2)	−0.016 (3)
C6	0.039 (2)	0.050 (2)	0.060 (3)	0.0070 (19)	0.016 (2)	−0.003 (2)
C7	0.048 (2)	0.047 (2)	0.068 (3)	−0.002 (2)	0.027 (2)	−0.002 (2)
C8	0.058 (3)	0.064 (3)	0.048 (2)	−0.013 (2)	0.022 (2)	0.001 (2)
C9	0.059 (2)	0.045 (2)	0.045 (2)	−0.008 (2)	0.0093 (19)	0.011 (2)
C10	0.052 (2)	0.032 (2)	0.0331 (19)	−0.0063 (18)	0.0049 (17)	−0.0006 (16)

Geometric parameters (Å, º) top

K1—O1W	2.692 (2)	C1—C2	1.4192
K1—O2ⁱ	2.701 (3)	C1—C6	1.451 (4)
K1—O1	2.710 (3)	C2—C3	1.377 (5)
K1—O2	2.739 (3)	C2—H2	0.9300
K1—O3ⁱⁱ	2.820 (3)	C3—C4	1.391 (7)
K1—O1Wⁱⁱⁱ	2.891 (2)	C3—H3	0.9300
K1—K1ⁱ	4.2503 (9)	C4—C5	1.356 (6)
K1—K1ⁱⁱⁱ	4.2503 (9)	C4—H4	0.9300
K1—K1^iv	4.8665 (19)	C5—C6	1.413 (6)
O1—C1	1.271 (3)	C5—H5	0.9300
O2—C10	1.250 (4)	C6—C7	1.410 (6)
O2—K1ⁱⁱⁱ	2.701 (3)	C7—H7	0.9300
O3—C10	1.251 (4)	C8—C9	1.510 (6)
O3—K1^v	2.820 (3)	C8—H8A	0.9700
O1W—K1ⁱ	2.891 (2)	C8—H8B	0.9700
O1W—H4B	0.9700	C9—C10	1.523 (5)
O1W—H4A	0.9700	C9—H9A	0.9700
N1—C7	1.293 (5)	C9—H9B	0.9700
N1—C8	1.458 (4)

O1W—K1—O2ⁱ	80.81 (7)	K1—O1W—H4B	112.0
O1W—K1—O1	98.05 (8)	K1ⁱ—O1W—H4B	112.0
O2ⁱ—K1—O1	96.48 (9)	K1—O1W—H4A	112.0
O1W—K1—O2	122.77 (7)	K1ⁱ—O1W—H4A	112.0
O2ⁱ—K1—O2	155.59 (8)	H4B—O1W—H4A	109.6
O1—K1—O2	75.45 (9)	C7—N1—C8	125.1 (3)
O1W—K1—O3ⁱⁱ	97.66 (8)	O1—C1—C2	122.76 (15)
O2ⁱ—K1—O3ⁱⁱ	91.66 (9)	O1—C1—C6	121.9 (2)
O1—K1—O3ⁱⁱ	163.28 (9)	C2—C1—C6	115.35 (18)
O2—K1—O3ⁱⁱ	91.19 (9)	C3—C2—C1	122.1 (2)
O1W—K1—O1Wⁱⁱⁱ	150.37 (7)	C3—C2—H2	118.9
O2ⁱ—K1—O1Wⁱⁱⁱ	84.61 (7)	C1—C2—H2	118.9
O1—K1—O1Wⁱⁱⁱ	109.16 (8)	C2—C3—C4	121.6 (4)
O2—K1—O1Wⁱⁱⁱ	76.71 (7)	C2—C3—H3	119.2
O3ⁱⁱ—K1—O1Wⁱⁱⁱ	57.00 (7)	C4—C3—H3	119.2
O1W—K1—K1ⁱ	42.21 (4)	C5—C4—C3	118.7 (5)
O2ⁱ—K1—K1ⁱ	38.94 (5)	C5—C4—H4	120.6
O1—K1—K1ⁱ	95.48 (7)	C3—C4—H4	120.6
O2—K1—K1ⁱ	162.10 (6)	C4—C5—C6	122.2 (5)
O3ⁱⁱ—K1—K1ⁱ	100.00 (7)	C4—C5—H5	118.9
O1Wⁱⁱⁱ—K1—K1ⁱ	121.13 (5)	C6—C5—H5	118.9
O1W—K1—K1ⁱⁱⁱ	156.81 (5)	C7—C6—C5	120.1 (4)
O2ⁱ—K1—K1ⁱⁱⁱ	120.32 (7)	C7—C6—C1	119.9 (3)
O1—K1—K1ⁱⁱⁱ	89.39 (7)	C5—C6—C1	120.0 (4)
O2—K1—K1ⁱⁱⁱ	38.30 (5)	N1—C7—C6	123.1 (4)
O3ⁱⁱ—K1—K1ⁱⁱⁱ	73.90 (7)	N1—C7—H7	118.4
O1Wⁱⁱⁱ—K1—K1ⁱⁱⁱ	38.72 (4)	C6—C7—H7	118.4
K1ⁱ—K1—K1ⁱⁱⁱ	159.06 (5)	N1—C8—C9	109.7 (3)
O1W—K1—K1^iv	46.14 (4)	N1—C8—H8A	109.7
O2ⁱ—K1—K1^iv	113.69 (6)	C9—C8—H8A	109.7
O1—K1—K1^iv	122.87 (8)	N1—C8—H8B	109.7
O2—K1—K1^iv	89.53 (6)	C9—C8—H8B	109.7
O3ⁱⁱ—K1—K1^iv	65.94 (6)	H8A—C8—H8B	108.2
O1Wⁱⁱⁱ—K1—K1^iv	120.49 (5)	C8—C9—C10	113.9 (3)
K1ⁱ—K1—K1^iv	82.46 (3)	C8—C9—H9A	108.8
K1ⁱⁱⁱ—K1—K1^iv	111.84 (3)	C10—C9—H9A	108.8
C1—O1—K1	157.2 (2)	C8—C9—H9B	108.8
C10—O2—K1ⁱⁱⁱ	126.4 (2)	C10—C9—H9B	108.8
C10—O2—K1	127.9 (2)	H9A—C9—H9B	107.7
K1ⁱⁱⁱ—O2—K1	102.77 (8)	O2—C10—O3	124.8 (4)
C10—O3—K1^v	143.4 (3)	O2—C10—C9	118.4 (3)
K1—O1W—K1ⁱ	99.07 (6)	O3—C10—C9	116.7 (3)

O1W—K1—O1—C1	12.6 (5)	K1ⁱⁱⁱ—K1—O1W—K1ⁱ	163.08 (8)
O2ⁱ—K1—O1—C1	−69.0 (6)	K1^iv—K1—O1W—K1ⁱ	142.08 (8)
O2—K1—O1—C1	134.5 (6)	K1—O1—C1—C2	42.5 (6)
O3ⁱⁱ—K1—O1—C1	172.4 (4)	K1—O1—C1—C6	−136.7 (5)
O1Wⁱⁱⁱ—K1—O1—C1	−155.5 (5)	O1—C1—C2—C3	179.9 (4)
K1ⁱ—K1—O1—C1	−29.8 (6)	C6—C1—C2—C3	−0.8 (3)
K1ⁱⁱⁱ—K1—O1—C1	170.6 (6)	C1—C2—C3—C4	0.4 (6)
K1^iv—K1—O1—C1	54.7 (6)	C2—C3—C4—C5	0.0 (7)
O1W—K1—O2—C10	−0.4 (3)	C3—C4—C5—C6	0.2 (7)
O2ⁱ—K1—O2—C10	−163.9 (2)	C4—C5—C6—C7	178.8 (4)
O1—K1—O2—C10	−90.7 (3)	C4—C5—C6—C1	−0.7 (6)
O3ⁱⁱ—K1—O2—C10	99.5 (3)	O1—C1—C6—C7	0.8 (5)
O1Wⁱⁱⁱ—K1—O2—C10	155.1 (3)	C2—C1—C6—C7	−178.5 (3)
K1ⁱ—K1—O2—C10	−29.6 (4)	O1—C1—C6—C5	−179.8 (3)
K1ⁱⁱⁱ—K1—O2—C10	161.2 (4)	C2—C1—C6—C5	0.9 (4)
K1^iv—K1—O2—C10	33.5 (3)	C8—N1—C7—C6	175.6 (4)
O1W—K1—O2—K1ⁱⁱⁱ	−161.60 (6)	C5—C6—C7—N1	−178.7 (4)
O2ⁱ—K1—O2—K1ⁱⁱⁱ	35.0 (3)	C1—C6—C7—N1	0.8 (6)
O1—K1—O2—K1ⁱⁱⁱ	108.12 (10)	C7—N1—C8—C9	−113.6 (4)
O3ⁱⁱ—K1—O2—K1ⁱⁱⁱ	−61.70 (10)	N1—C8—C9—C10	−57.8 (4)
O1Wⁱⁱⁱ—K1—O2—K1ⁱⁱⁱ	−6.08 (7)	K1ⁱⁱⁱ—O2—C10—O3	108.7 (4)
K1ⁱ—K1—O2—K1ⁱⁱⁱ	169.26 (11)	K1—O2—C10—O3	−48.3 (5)
K1^iv—K1—O2—K1ⁱⁱⁱ	−127.63 (7)	K1ⁱⁱⁱ—O2—C10—C9	−73.3 (4)
O2ⁱ—K1—O1W—K1ⁱ	6.02 (7)	K1—O2—C10—C9	129.7 (3)
O1—K1—O1W—K1ⁱ	−89.29 (8)	K1^v—O3—C10—O2	−84.8 (5)
O2—K1—O1W—K1ⁱ	−167.13 (7)	K1^v—O3—C10—C9	97.3 (4)
O3ⁱⁱ—K1—O1W—K1ⁱ	96.47 (8)	C8—C9—C10—O2	−8.8 (5)
O1Wⁱⁱⁱ—K1—O1W—K1ⁱ	67.52 (17)	C8—C9—C10—O3	169.4 (3)

Symmetry codes: (i) x, −y+1/2, z+1/2; (ii) −x, y−1/2, −z+1/2; (iii) x, −y+1/2, z−1/2; (iv) −x, −y+1, −z+1; (v) −x, y+1/2, −z+1/2.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H4B···O2^iv	0.97	2.60	3.475 (3)	150
O1W—H4A···O3^vi	0.97	2.15	2.741 (3)	118

Symmetry codes: (iv) −x, −y+1, −z+1; (vi) x, −y+3/2, z+1/2.

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Aqua­(salicyl­idene-β-alaninato-κ2O,O′)potassium(I)

Supporting information

Key indicators

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Aqua(salicylidene-β-alaninato-κ²O,O′)potassium(I)