cis-Dichloro­(2-morpholinoethyl­amine-κ²N,N′)platinum(II)

The diamine ligand in the title compound, [PtCl₂(C₆H₁₄N₂O)], chelates to platinum, which adopts a square-planar geometry. Adjacent mol­ecules are linked by an N—H...O hydrogen bond, forming a chain running along [101].

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean [sigma](C-C) = 0.012 Å
• R factor = 0.029
• wR factor = 0.067
• Data-to-parameter ratio = 20.6

checkCIF/PLATON results

No syntax errors found



Alert level A
ABSTM02_ALERT_3_A  Crystal and compound unsuitable for non-numerical
               corrections. Product of mu and tmid > 3.0
             Value of mu given =    14.163 tmid =     0.250

Author Response: Although the mu*d is larger than 3, the structure has refined smoothly with the multi-scan absorption correction. There are no large peaks/holes in the final difference Fourier, and the ORTEP looks alright. Moreover, the crystal did not have clearly defined faces for a face-indexing absorption correction

PLAT065_ALERT_3_A Crystal Requires Numerical Correction mu*tmid ..       3.54

Author Response: Although the mu*d is larger than 3, the structure has refined smoothly with the multi-scan absorption correction. There are no large peaks/holes in the final difference Fourier, and the ORTEP looks alright. Moreover, the crystal did not have clearly defined faces for a face-indexing absorption correction

Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         12

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

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Computing details

Data collection: APEXII (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); 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.

cis-Dichloro(2-morpholinoethylamine-κ²N,N')platinum(II)

Crystal data

[PtCl2(C6H14N2O)]	F(000) = 1472
Mr = 396.18	Dx = 2.566 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 1798 reflections
a = 16.365 (2) Å	θ = 2.6–24.2°
b = 12.584 (2) Å	µ = 14.16 mm^−1
c = 10.775 (2) Å	T = 295 K
β = 112.459 (2)°	Block, yellow
V = 2050.7 (6) Å^3	0.28 × 0.25 × 0.20 mm
Z = 8

Data collection

Bruker APEX-II area-detector diffractometer	2245 independent reflections
Radiation source: fine-focus sealed tube	1651 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.041
φ and ω scans	θmax = 27.3°, θmin = 2.1°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −20→18
Tmin = 0.027, Tmax = 0.059	k = −9→16
5839 measured reflections	l = −13→13

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)] = 0.029	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.067	H-atom parameters constrained
S = 0.96	w = 1/[σ^2(Fo^2) + (0.0282P)^2] where P = (Fo^2 + 2Fc^2)/3
2245 reflections	(Δ/σ)max = 0.001
109 parameters	Δρmax = 0.72 e Å^−3
0 restraints	Δρmin = −1.94 e Å^−3

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

	x	y	z	Uiso*/Ueq
Pt1	0.20101 (2)	0.41848 (2)	0.56139 (3)	0.0308 (1)
Cl1	0.1319 (2)	0.4557 (2)	0.3358 (2)	0.0626 (7)
Cl2	0.3128 (1)	0.5375 (2)	0.5845 (2)	0.0468 (5)
O1	−0.0557 (3)	0.1973 (4)	0.3972 (6)	0.052 (2)
N1	0.2598 (4)	0.3789 (5)	0.7572 (6)	0.039 (2)
N2	0.1049 (4)	0.3097 (5)	0.5582 (6)	0.033 (1)
C1	0.2232 (5)	0.2773 (7)	0.7773 (9)	0.060 (3)
C2	0.1286 (5)	0.2777 (7)	0.7034 (8)	0.054 (2)
C3	0.0149 (5)	0.3572 (6)	0.5060 (8)	0.045 (2)
C4	−0.0564 (5)	0.2777 (7)	0.4887 (9)	0.054 (2)
C5	0.0267 (5)	0.1420 (6)	0.4474 (10)	0.054 (2)
C6	0.1027 (5)	0.2179 (6)	0.4697 (9)	0.047 (2)
H11	0.3160	0.3734	0.7794	0.047*
H12	0.2500	0.4272	0.8063	0.047*
H1a	0.2498	0.2196	0.7460	0.073*
H1b	0.2363	0.2666	0.8721	0.073*
H2a	0.1014	0.3269	0.7454	0.065*
H2b	0.1052	0.2073	0.7066	0.065*
H3a	0.0043	0.3905	0.4201	0.054*
H3b	0.0122	0.4121	0.5675	0.054*
H4a	−0.0477	0.2459	0.5749	0.064*
H4b	−0.1134	0.3131	0.4556	0.064*
H5a	0.0269	0.0876	0.3838	0.065*
H5b	0.0340	0.1075	0.5315	0.065*
H6a	0.1578	0.1789	0.5091	0.056*
H6b	0.0990	0.2447	0.3833	0.056*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Pt1	0.0368 (2)	0.0253 (2)	0.0336 (2)	−0.0005 (1)	0.0173 (1)	−0.0008 (1)
Cl1	0.072 (2)	0.071 (2)	0.037 (1)	−0.027 (1)	0.012 (1)	0.014 (1)
Cl2	0.052 (1)	0.037 (1)	0.053 (1)	−0.011 (1)	0.022 (1)	−0.007 (1)
O1	0.041 (3)	0.051 (4)	0.064 (4)	−0.010 (3)	0.022 (3)	−0.016 (3)
N1	0.040 (3)	0.030 (3)	0.047 (4)	0.008 (3)	0.016 (3)	−0.003 (3)
N2	0.037 (3)	0.027 (3)	0.037 (4)	−0.002 (3)	0.016 (3)	−0.001 (3)
C1	0.067 (6)	0.053 (6)	0.054 (6)	−0.019 (5)	0.014 (5)	0.016 (5)
C2	0.061 (5)	0.061 (6)	0.043 (5)	−0.004 (5)	0.022 (4)	0.008 (4)
C3	0.039 (4)	0.043 (5)	0.049 (5)	0.002 (4)	0.012 (4)	−0.009 (4)
C4	0.047 (5)	0.055 (6)	0.063 (6)	−0.013 (4)	0.026 (4)	−0.019 (5)
C5	0.063 (5)	0.027 (5)	0.085 (7)	−0.005 (4)	0.041 (5)	−0.004 (5)
C6	0.045 (4)	0.028 (4)	0.077 (6)	−0.004 (4)	0.034 (4)	−0.002 (4)

Geometric parameters (Å, º)

Pt1—N1	2.018 (6)	N1—H12	0.8600
Pt1—N2	2.075 (5)	C1—H1a	0.9700
Pt1—Cl1	2.304 (2)	C1—H1b	0.9700
Pt1—Cl2	2.303 (2)	C2—H2a	0.9700
O1—C4	1.417 (9)	C2—H2b	0.9700
O1—C5	1.427 (9)	C3—H3a	0.9700
N1—C1	1.46 (1)	C3—H3b	0.9700
N2—C3	1.487 (8)	C4—H4a	0.9700
N2—C6	1.490 (9)	C4—H4b	0.9700
N2—C2	1.515 (9)	C5—H5a	0.9700
C1—C2	1.45 (1)	C5—H5b	0.9700
C3—C4	1.49 (1)	C6—H6a	0.9700
C5—C6	1.51 (1)	C6—H6b	0.9700
N1—H11	0.8600
N1—Pt1—N2	84.8 (2)	N1—C1—H1b	109.8
N1—Pt1—Cl1	177.4 (2)	H1a—C1—H1b	108.3
N1—Pt1—Cl2	90.4 (2)	C1—C2—H2a	109.3
N2—Pt1—Cl1	93.0 (2)	N2—C2—H2a	109.3
N2—Pt1—Cl2	175.1 (2)	C1—C2—H2b	109.3
Cl1—Pt1—Cl2	91.80 (9)	N2—C2—H2b	109.3
C4—O1—C5	110.0 (6)	H2a—C2—H2b	108.0
C1—N1—Pt1	108.2 (5)	N2—C3—H3a	109.0
C3—N2—C6	106.9 (6)	C4—C3—H3a	109.0
C3—N2—C2	108.8 (6)	N2—C3—H3b	109.0
C6—N2—C2	112.9 (6)	C4—C3—H3b	109.0
C3—N2—Pt1	112.1 (4)	H3a—C3—H3b	107.8
C6—N2—Pt1	110.8 (4)	O1—C4—H4a	109.5
C2—N2—Pt1	105.4 (4)	C3—C4—H4a	109.5
C2—C1—N1	109.2 (7)	O1—C4—H4b	109.5
C1—C2—N2	111.5 (6)	C3—C4—H4b	109.5
N2—C3—C4	113.1 (7)	H4a—C4—H4b	108.1
O1—C4—C3	110.6 (6)	O1—C5—H5a	109.5
O1—C5—C6	110.7 (6)	C6—C5—H5a	109.5
N2—C6—C5	114.1 (6)	O1—C5—H5b	109.5
C1—N1—H11	110.1	C6—C5—H5b	109.5
Pt1—N1—H11	110.1	H5a—C5—H5b	108.1
C1—N1—H12	110.1	N2—C6—H6a	108.7
Pt1—N1—H12	110.1	C5—C6—H6a	108.7
H11—N1—H12	108.4	N2—C6—H6b	108.7
C2—C1—H1a	109.8	C5—C6—H6b	108.7
N1—C1—H1a	109.8	H6a—C6—H6b	107.6
C2—C1—H1b	109.8
N2—Pt1—N1—C1	18.6 (5)	Pt1—N2—C2—C1	−33.3 (8)
Cl2—Pt1—N1—C1	−162.1 (5)	C6—N2—C3—C4	52.1 (8)
N1—Pt1—N2—C3	125.5 (5)	C2—N2—C3—C4	−70.1 (8)
Cl1—Pt1—N2—C3	−56.0 (5)	Pt1—N2—C3—C4	173.8 (5)
N1—Pt1—N2—C6	−115.1 (5)	C5—O1—C4—C3	61.4 (9)
Cl1—Pt1—N2—C6	63.4 (5)	N2—C3—C4—O1	−59.9 (9)
N1—Pt1—N2—C2	7.3 (5)	C4—O1—C5—C6	−58.6 (9)
Cl1—Pt1—N2—C2	−174.2 (4)	C3—N2—C6—C5	−50.0 (9)
Pt1—N1—C1—C2	−42.5 (8)	C2—N2—C6—C5	69.7 (8)
N1—C1—C2—N2	51 (1)	Pt1—N2—C6—C5	−172.4 (6)
C3—N2—C2—C1	−153.7 (7)	O1—C5—C6—N2	55 (1)
C6—N2—C2—C1	87.7 (8)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H11···O1^i	0.86	2.19	2.972 (7)	152
N1—H12···Cl1^ii	0.86	2.55	3.284 (6)	145
N1—H12···Cl2^ii	0.86	2.81	3.458 (7)	134

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