(Benzoyl-acetonato-κ(2) O,O')dicarbonyl-rhodium(I).

In the title compound, [Rh(C10H9O2)(CO)2], a distorted square-planar coordination geometry is observed around the Rh(I) atom, formed by the O atoms of the bidentate ligand and two C atoms from the carbonyl ligands. The Rh(I) atom is displaced from the plane through the surrounding atoms by 0.017 Å. In the crystal, C-H⋯O inter-action is observed between a methyl group of the bidentate ligand and a carbonyl O atom. Metallophilic inter-actions [3.308 (3) and 3.461 (3) Å] between neighbouring Rh(I) atoms are encountered in the crystal, resulting in the formation of a metal chain along the b-axis direction.

Related literature

For applications of rhodium chemistry, see: Dutta & Singh (1994 ▶); Paulik & Roth (1968 ▶); Evans et al. (1968 ▶). For rhodium dicarbonyl complexes as precursor catalysts, see: Brink et al. (2010 ▶). For background to metallophilicity, see: Doerrer (2010 ▶). For other metallophilic rhodium complexes, see: Prater et al. (1999 ▶); Laurila et al. (2012 ▶); Real et al. (1989 ▶). For other rhodium dicarbonyl complexes, see: Huq & Skapski (1974 ▶); Leipoldt et al. (1977 ▶).

Experimental

Crystal data

[Rh(C10H9O2)(CO)2]

M = 320.1

Monoclinic,

a = 7.5887 (2) Å

b = 6.7522 (1) Å

c = 22.5299 (5) Å

β = 98.850 (1)°

V = 1140.70 (4) Å3

Z = 4

Mo Kα radiation

μ = 1.50 mm−1

T = 100 K

0.19 × 0.09 × 0.05 mm

Data collection

Bruker APEXII KappaCCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2008 ▶) T min = 0.851, T max = 0.928

15332 measured reflections

2827 independent reflections

2494 reflections with I > 2σ(I)

R int = 0.020

Refinement

R[F 2 > 2σ(F 2)] = 0.018

wR(F 2) = 0.048

S = 1.08

2827 reflections

154 parameters

H-atom parameters constrained

Δρmax = 0.56 e Å−3

Δρmin = −0.44 e Å−3

Data collection: APEX2 (Bruker, 2011 ▶); cell refinement: SAINT-Plus (Bruker, 2008 ▶); data reduction: SAINT-Plus; program(s) used to solve structure: SIR2002 (Burla et al., 2003 ▶) and SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: Mercury (Macrae et al., 2008 ▶); software used to prepare material for publication: WinGX (Farrugia, 1999 ▶), publCIF (Westrip, 2010 ▶), PARST (Nardelli, 1995 ▶) and PLATON (Spek, 2009 ▶).

Click here for additional data file.

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536812044893/bh2458sup1.cif

Click here for additional data file.

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812044893/bh2458Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Rh(C10H9O2)(CO)2]	F(000) = 632
Mr = 320.1	Dx = 1.864 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 7402 reflections
a = 7.5887 (2) Å	θ = 2.7–28.3°
b = 6.7522 (1) Å	µ = 1.50 mm−1
c = 22.5299 (5) Å	T = 100 K
β = 98.850 (1)°	Needle, orange
V = 1140.70 (4) Å3	0.19 × 0.09 × 0.05 mm
Z = 4

Bruker APEXII KappaCCD diffractometer	2827 independent reflections
Radiation source: fine-focus sealed tube	2494 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.020
Detector resolution: 512 pixels mm-1	θmax = 28.3°, θmin = 1.8°
φ and ω scans	h = −10→10
Absorption correction: multi-scan (SADABS; Bruker, 2008)	k = −9→8
Tmin = 0.851, Tmax = 0.928	l = −29→30
15332 measured reflections

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)] = 0.018	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.048	H-atom parameters constrained
S = 1.08	w = 1/[σ2(Fo2) + (0.0197P)2 + 0.986P] where P = (Fo2 + 2Fc2)/3
2827 reflections	(Δ/σ)max = 0.002
154 parameters	Δρmax = 0.56 e Å−3
0 restraints	Δρmin = −0.44 e Å−3
0 constraints

	x	y	z	Uiso*/Ueq	Occ. (<1)
C1	−0.0248 (2)	0.2092 (2)	0.36980 (7)	0.0130 (3)
C2	0.1566 (2)	0.1653 (2)	0.37257 (7)	0.0156 (3)
H2	0.1964	0.1341	0.3357	0.019*
C3	0.2848 (2)	0.1629 (2)	0.42418 (8)	0.0157 (3)
C4	−0.1396 (2)	0.2156 (2)	0.30958 (7)	0.0132 (3)
C5	−0.0945 (2)	0.1102 (2)	0.26078 (7)	0.0162 (3)
H5	0.0096	0.0299	0.2658	0.019*
C6	−0.2006 (2)	0.1218 (3)	0.20490 (8)	0.0174 (3)
H6	−0.1681	0.0505	0.1719	0.021*
C7	−0.3540 (2)	0.2371 (2)	0.19702 (8)	0.0171 (3)
H7	−0.4262	0.2448	0.1587	0.02*
C8	−0.4015 (2)	0.3411 (3)	0.24546 (8)	0.0170 (3)
H8	−0.5067	0.4195	0.2403	0.02*
C9	−0.2949 (2)	0.3305 (2)	0.30142 (7)	0.0150 (3)
H9	−0.3278	0.4019	0.3344	0.018*
C10	0.4773 (2)	0.1331 (3)	0.41774 (8)	0.0201 (4)
H10A	0.5507	0.1351	0.4575	0.03*	0.5
H10B	0.5155	0.2396	0.393	0.03*	0.5
H10C	0.4912	0.0052	0.3984	0.03*	0.5
H10D	0.4876	0.1182	0.3751	0.03*	0.5
H10E	0.5227	0.0136	0.4396	0.03*	0.5
H10F	0.5471	0.2481	0.4342	0.03*	0.5
C11	−0.1975 (2)	0.3058 (3)	0.53050 (7)	0.0170 (3)
C12	0.1228 (2)	0.2372 (2)	0.58225 (8)	0.0177 (3)
O1	−0.10332 (17)	0.25034 (16)	0.41481 (5)	0.0152 (2)
O2	0.25558 (16)	0.18797 (19)	0.47805 (5)	0.0170 (2)
O3	−0.32389 (17)	0.3454 (2)	0.54935 (6)	0.0240 (3)
O4	0.19329 (19)	0.23292 (19)	0.63064 (6)	0.0245 (3)
Rh1	0.013973 (17)	0.244320 (18)	0.503043 (5)	0.01307 (5)

	U11	U22	U33	U12	U13	U23
C1	0.0169 (8)	0.0101 (7)	0.0118 (7)	−0.0026 (6)	0.0018 (6)	0.0010 (6)
C2	0.0181 (8)	0.0165 (8)	0.0127 (8)	−0.0007 (6)	0.0040 (6)	0.0006 (6)
C3	0.0172 (8)	0.0140 (8)	0.0160 (8)	−0.0023 (6)	0.0028 (6)	0.0020 (6)
C4	0.0157 (8)	0.0130 (7)	0.0108 (7)	−0.0020 (6)	0.0018 (6)	0.0010 (6)
C5	0.0181 (8)	0.0160 (8)	0.0146 (8)	0.0024 (6)	0.0026 (6)	0.0001 (6)
C6	0.0230 (9)	0.0169 (8)	0.0124 (8)	0.0005 (7)	0.0033 (7)	−0.0023 (6)
C7	0.0204 (8)	0.0172 (8)	0.0126 (8)	−0.0014 (6)	−0.0006 (6)	0.0018 (6)
C8	0.0169 (8)	0.0163 (8)	0.0174 (8)	0.0024 (6)	0.0014 (7)	0.0014 (6)
C9	0.0178 (8)	0.0141 (8)	0.0138 (8)	−0.0003 (6)	0.0044 (6)	−0.0012 (6)
C10	0.0148 (8)	0.0282 (9)	0.0170 (8)	−0.0028 (7)	0.0019 (7)	0.0007 (7)
C11	0.0239 (9)	0.0163 (8)	0.0100 (8)	−0.0033 (7)	0.0000 (7)	−0.0002 (6)
C12	0.0198 (8)	0.0142 (8)	0.0192 (9)	−0.0039 (6)	0.0038 (7)	−0.0002 (6)
O1	0.0166 (6)	0.0180 (6)	0.0111 (6)	−0.0011 (4)	0.0021 (5)	−0.0002 (4)
O2	0.0159 (6)	0.0216 (6)	0.0135 (6)	−0.0026 (5)	0.0020 (5)	0.0011 (5)
O3	0.0240 (7)	0.0308 (7)	0.0183 (6)	0.0009 (6)	0.0063 (5)	−0.0014 (6)
O4	0.0306 (8)	0.0264 (7)	0.0143 (6)	−0.0057 (5)	−0.0033 (6)	0.0003 (5)
Rh1	0.01542 (8)	0.01454 (7)	0.00917 (7)	−0.00290 (5)	0.00160 (5)	0.00006 (5)

C1—O1	1.283 (2)	C8—C9	1.391 (2)
C1—C2	1.399 (2)	C8—H8	0.95
C1—C4	1.496 (2)	C9—H9	0.95
C2—C3	1.397 (2)	C10—H10A	0.98
C2—H2	0.95	C10—H10B	0.98
C3—O2	1.278 (2)	C10—H10C	0.98
C3—C10	1.504 (2)	C10—H10D	0.98
C4—C5	1.396 (2)	C10—H10E	0.98
C4—C9	1.400 (2)	C10—H10F	0.98
C5—C6	1.388 (2)	C11—O3	1.139 (2)
C5—H5	0.95	C11—Rh1	1.8539 (18)
C6—C7	1.389 (2)	C12—O4	1.138 (2)
C6—H6	0.95	C12—Rh1	1.8480 (19)
C7—C8	1.391 (2)	O1—Rh1	2.0498 (12)
C7—H7	0.95	O2—Rh1	2.0349 (12)
O1—C1—C2	125.71 (15)	H10A—C10—H10B	109.5
O1—C1—C4	115.70 (15)	C3—C10—H10C	109.5
C2—C1—C4	118.57 (15)	H10A—C10—H10C	109.5
C3—C2—C1	126.44 (15)	H10B—C10—H10C	109.5
C3—C2—H2	116.8	C3—C10—H10D	109.5
C1—C2—H2	116.8	H10A—C10—H10D	141.1
O2—C3—C2	126.05 (16)	H10B—C10—H10D	56.3
O2—C3—C10	114.98 (15)	H10C—C10—H10D	56.3
C2—C3—C10	118.95 (15)	C3—C10—H10E	109.5
C5—C4—C9	118.87 (15)	H10A—C10—H10E	56.3
C5—C4—C1	121.36 (15)	H10B—C10—H10E	141.1
C9—C4—C1	119.77 (15)	H10C—C10—H10E	56.3
C6—C5—C4	120.47 (16)	H10D—C10—H10E	109.5
C6—C5—H5	119.8	C3—C10—H10F	109.5
C4—C5—H5	119.8	H10A—C10—H10F	56.3
C5—C6—C7	120.36 (16)	H10B—C10—H10F	56.3
C5—C6—H6	119.8	H10C—C10—H10F	141.1
C7—C6—H6	119.8	H10D—C10—H10F	109.5
C6—C7—C8	119.72 (16)	H10E—C10—H10F	109.5
C6—C7—H7	120.1	O3—C11—Rh1	177.49 (15)
C8—C7—H7	120.1	O4—C12—Rh1	178.55 (17)
C9—C8—C7	120.02 (16)	C1—O1—Rh1	125.23 (11)
C9—C8—H8	120	C3—O2—Rh1	125.64 (11)
C7—C8—H8	120	C12—Rh1—C11	87.98 (8)
C8—C9—C4	120.54 (15)	C12—Rh1—O2	88.54 (7)
C8—C9—H9	119.7	C11—Rh1—O2	175.85 (6)
C4—C9—H9	119.7	C12—Rh1—O1	179.13 (6)
C3—C10—H10A	109.5	C11—Rh1—O1	92.88 (6)
C3—C10—H10B	109.5	O2—Rh1—O1	90.61 (5)

D—H···A	D—H	H···A	D···A	D—H···A
C10—H10A···O3i	0.98	2.57	3.427 (2)	146

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C10—H10A⋯O3i	0.98	2.57	3.427 (2)	146

Symmetry code: (i) .