Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807024725/hy2064sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807024725/hy2064Isup2.hkl |
CCDC reference: 650683
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.004 Å
- R factor = 0.040
- wR factor = 0.092
- Data-to-parameter ratio = 17.5
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Cu1 - Cl1_a .. 12.21 su
Alert level C PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O2
Alert level G PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K PLAT794_ALERT_5_G Check Predicted Bond Valency for Cu1 (2) 2.10
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 1 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 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 1 ALERT type 5 Informative message, check
A mixture of CuCl2.2H2O (0.171 g, 1 mmol), NaOH (0.08 g, 2 mmol) and 2-anilinobenzoic acid (0.426 g, 2 mmol) in ethanol (15 ml) was stirred for 10 min at room temperature. Then 1,10-phenanthroline (0.360 g, 1 mmol) was added to the solution with stirring for 30 min and a blue precipitate was obtained. The precipitate was dissolved by dropwise addition of ammonia (5 M). Green single crystals were obtained by slow evaporation of the solution at room temperature.
H atoms on C atoms were poisitioned geometrically and refined as riding atoms, with C—H = 0.93 Å, and Uiso(H) = 1.2Ueq(C). H atom bonded to N atom was located in a difference Fourier map and refined with Uiso(H) = 1.5Ueq(N).
As part of our investigation of the transition metal complexes, there is a need to prepare further examples of these compounds. In this paper, the structure of the title compound, (I), is described.
As shown in Fig. 1, the coordination polyhedron around the CuII atom is a square pyramid, comprising one O atom from a 2-anilinobenzoate ligand, two N atoms from a 1,10-phenanthroline ligand and two Cl- anions. In addition, there is a weak interaction of 2.700 (2)Å between Cu1 and O2 (Table 1). The two Cl- anions bridge two CuII atoms to form a dimeric complex molecule, which lies on an inversion center. The bond distances and angles are normal (Atria et al., 1994). There exists intramolecular N—H···O hydrogen bond in (I) (Table 2).
For a related structure, see: Atria et al. (1994).
Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL-Plus (Sheldrick, 1990); software used to prepare material for publication: SHELXL97.
[Cu2(C13H10NO2)2Cl2(C12H8N2)2] | F(000) = 1004 |
Mr = 982.83 | Dx = 1.511 Mg m−3 |
Monoclinic, P21/c | Melting point: not measured K |
Hall symbol: -P 2ybc | Mo Kα radiation, λ = 0.71073 Å |
a = 14.1685 (18) Å | Cell parameters from 5099 reflections |
b = 10.3545 (13) Å | θ = 2.4–28.3° |
c = 14.9955 (19) Å | µ = 1.16 mm−1 |
β = 100.843 (2)° | T = 293 K |
V = 2160.7 (5) Å3 | Block, green |
Z = 2 | 0.40 × 0.32 × 0.28 mm |
Bruker SMART APEX CCD area-detector diffractometer | 5099 independent reflections |
Radiation source: fine-focus sealed tube | 3284 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.041 |
φ and ω scans | θmax = 28.3°, θmin = 2.4° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −18→17 |
Tmin = 0.643, Tmax = 0.718 | k = −6→13 |
12962 measured reflections | l = −19→19 |
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)] = 0.040 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.092 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.03 | w = 1/[σ2(Fo2) + (0.0355P)2] where P = (Fo2 + 2Fc2)/3 |
5099 reflections | (Δ/σ)max = 0.001 |
292 parameters | Δρmax = 0.30 e Å−3 |
0 restraints | Δρmin = −0.46 e Å−3 |
[Cu2(C13H10NO2)2Cl2(C12H8N2)2] | V = 2160.7 (5) Å3 |
Mr = 982.83 | Z = 2 |
Monoclinic, P21/c | Mo Kα radiation |
a = 14.1685 (18) Å | µ = 1.16 mm−1 |
b = 10.3545 (13) Å | T = 293 K |
c = 14.9955 (19) Å | 0.40 × 0.32 × 0.28 mm |
β = 100.843 (2)° |
Bruker SMART APEX CCD area-detector diffractometer | 5099 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | 3284 reflections with I > 2σ(I) |
Tmin = 0.643, Tmax = 0.718 | Rint = 0.041 |
12962 measured reflections |
R[F2 > 2σ(F2)] = 0.040 | 0 restraints |
wR(F2) = 0.092 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.03 | Δρmax = 0.30 e Å−3 |
5099 reflections | Δρmin = −0.46 e Å−3 |
292 parameters |
x | y | z | Uiso*/Ueq | ||
Cu1 | 0.38851 (2) | 0.57806 (3) | 0.46359 (2) | 0.03554 (11) | |
C1 | 0.2915 (2) | 0.7342 (3) | 0.2981 (2) | 0.0569 (8) | |
H1 | 0.2811 | 0.6567 | 0.2665 | 0.068* | |
C2 | 0.2601 (2) | 0.8483 (4) | 0.2536 (2) | 0.0775 (11) | |
H2 | 0.2298 | 0.8463 | 0.1929 | 0.093* | |
C3 | 0.2735 (2) | 0.9628 (4) | 0.2984 (3) | 0.0759 (10) | |
H3 | 0.2520 | 1.0391 | 0.2686 | 0.091* | |
C4 | 0.3194 (2) | 0.9658 (3) | 0.3892 (2) | 0.0517 (7) | |
C5 | 0.34946 (17) | 0.8467 (2) | 0.42921 (18) | 0.0380 (6) | |
C6 | 0.3382 (2) | 1.0797 (3) | 0.4440 (3) | 0.0643 (9) | |
H6 | 0.3188 | 1.1596 | 0.4186 | 0.077* | |
C7 | 0.3832 (2) | 1.0736 (3) | 0.5312 (3) | 0.0610 (9) | |
H7 | 0.3949 | 1.1495 | 0.5646 | 0.073* | |
C8 | 0.41356 (19) | 0.9538 (2) | 0.5737 (2) | 0.0463 (7) | |
C9 | 0.39598 (17) | 0.8408 (2) | 0.52190 (17) | 0.0361 (6) | |
C10 | 0.4697 (2) | 0.7138 (3) | 0.64042 (18) | 0.0504 (7) | |
H10 | 0.4905 | 0.6333 | 0.6635 | 0.060* | |
C11 | 0.4894 (2) | 0.8213 (3) | 0.6963 (2) | 0.0618 (9) | |
H11 | 0.5216 | 0.8119 | 0.7560 | 0.074* | |
C12 | 0.4614 (2) | 0.9394 (3) | 0.6635 (2) | 0.0592 (9) | |
H12 | 0.4741 | 1.0116 | 0.7008 | 0.071* | |
C13 | 0.2532 (2) | 0.4353 (2) | 0.36398 (18) | 0.0423 (6) | |
C14 | 0.20479 (18) | 0.3495 (2) | 0.28849 (16) | 0.0378 (6) | |
C15 | 0.2531 (2) | 0.3170 (2) | 0.21885 (17) | 0.0437 (7) | |
H15 | 0.3153 | 0.3474 | 0.2215 | 0.052* | |
C16 | 0.2121 (2) | 0.2417 (3) | 0.14645 (18) | 0.0502 (7) | |
H16 | 0.2463 | 0.2210 | 0.1012 | 0.060* | |
C17 | 0.1199 (2) | 0.1976 (3) | 0.14189 (19) | 0.0556 (8) | |
H17 | 0.0913 | 0.1468 | 0.0931 | 0.067* | |
C18 | 0.0694 (2) | 0.2279 (3) | 0.2089 (2) | 0.0560 (8) | |
H18 | 0.0068 | 0.1982 | 0.2042 | 0.067* | |
C19 | 0.1104 (2) | 0.3023 (2) | 0.28385 (19) | 0.0465 (7) | |
C20 | −0.00863 (19) | 0.2604 (3) | 0.38439 (19) | 0.0488 (7) | |
C21 | −0.0202 (2) | 0.1287 (3) | 0.3698 (2) | 0.0632 (9) | |
H21 | 0.0167 | 0.0857 | 0.3340 | 0.076* | |
C22 | −0.0867 (2) | 0.0609 (3) | 0.4082 (2) | 0.0725 (10) | |
H22 | −0.0947 | −0.0273 | 0.3975 | 0.087* | |
C23 | −0.1407 (2) | 0.1224 (4) | 0.4619 (2) | 0.0719 (10) | |
H23 | −0.1853 | 0.0761 | 0.4872 | 0.086* | |
C24 | −0.1289 (2) | 0.2532 (3) | 0.4784 (2) | 0.0618 (9) | |
H24 | −0.1643 | 0.2949 | 0.5161 | 0.074* | |
C25 | −0.0646 (2) | 0.3212 (3) | 0.43881 (19) | 0.0516 (7) | |
H25 | −0.0583 | 0.4098 | 0.4485 | 0.062* | |
N1 | 0.42259 (14) | 0.72155 (19) | 0.55568 (13) | 0.0364 (5) | |
N2 | 0.33596 (14) | 0.7321 (2) | 0.38417 (14) | 0.0389 (5) | |
O1 | 0.34218 (12) | 0.45837 (16) | 0.36536 (12) | 0.0441 (4) | |
O2 | 0.20849 (14) | 0.48232 (18) | 0.41969 (14) | 0.0598 (6) | |
Cl1 | 0.43055 (5) | 0.41708 (6) | 0.56938 (4) | 0.04377 (17) | |
N3 | 0.05935 (19) | 0.3350 (2) | 0.35103 (18) | 0.0620 (8) | |
H3N | 0.090 (2) | 0.397 (3) | 0.389 (2) | 0.093* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Cu1 | 0.04285 (19) | 0.02743 (17) | 0.03428 (18) | −0.00175 (14) | 0.00194 (13) | −0.00253 (13) |
C1 | 0.0589 (19) | 0.058 (2) | 0.0487 (18) | 0.0005 (15) | −0.0022 (15) | 0.0070 (15) |
C2 | 0.081 (3) | 0.091 (3) | 0.051 (2) | 0.012 (2) | −0.0102 (18) | 0.025 (2) |
C3 | 0.076 (2) | 0.067 (2) | 0.081 (3) | 0.015 (2) | 0.006 (2) | 0.035 (2) |
C4 | 0.0479 (17) | 0.0423 (17) | 0.068 (2) | 0.0088 (14) | 0.0174 (15) | 0.0180 (15) |
C5 | 0.0344 (14) | 0.0360 (16) | 0.0454 (16) | 0.0014 (12) | 0.0123 (12) | 0.0065 (12) |
C6 | 0.070 (2) | 0.0270 (16) | 0.102 (3) | 0.0102 (15) | 0.034 (2) | 0.0123 (17) |
C7 | 0.067 (2) | 0.0284 (16) | 0.096 (3) | −0.0064 (15) | 0.037 (2) | −0.0112 (17) |
C8 | 0.0443 (16) | 0.0332 (15) | 0.066 (2) | −0.0051 (12) | 0.0230 (15) | −0.0121 (14) |
C9 | 0.0358 (14) | 0.0302 (14) | 0.0448 (15) | −0.0009 (11) | 0.0135 (12) | −0.0032 (11) |
C10 | 0.0628 (19) | 0.0461 (17) | 0.0387 (16) | 0.0081 (14) | 0.0005 (14) | −0.0069 (13) |
C11 | 0.072 (2) | 0.068 (2) | 0.0414 (17) | 0.0049 (18) | 0.0004 (15) | −0.0214 (16) |
C12 | 0.061 (2) | 0.056 (2) | 0.061 (2) | −0.0064 (16) | 0.0123 (16) | −0.0331 (16) |
C13 | 0.0507 (17) | 0.0294 (14) | 0.0457 (16) | −0.0048 (13) | 0.0060 (13) | −0.0034 (12) |
C14 | 0.0416 (15) | 0.0302 (14) | 0.0390 (15) | −0.0044 (11) | 0.0009 (12) | −0.0004 (11) |
C15 | 0.0470 (16) | 0.0391 (16) | 0.0428 (16) | −0.0031 (13) | 0.0031 (13) | 0.0001 (13) |
C16 | 0.063 (2) | 0.0471 (17) | 0.0391 (16) | −0.0008 (15) | 0.0070 (14) | −0.0035 (13) |
C17 | 0.067 (2) | 0.0500 (18) | 0.0421 (17) | −0.0128 (15) | −0.0092 (15) | −0.0066 (14) |
C18 | 0.0500 (18) | 0.060 (2) | 0.0540 (19) | −0.0205 (15) | 0.0002 (15) | −0.0107 (15) |
C19 | 0.0496 (17) | 0.0396 (16) | 0.0496 (17) | −0.0097 (13) | 0.0078 (14) | −0.0030 (13) |
C20 | 0.0397 (16) | 0.0508 (18) | 0.0544 (18) | −0.0098 (14) | 0.0056 (13) | −0.0066 (14) |
C21 | 0.064 (2) | 0.0524 (19) | 0.081 (2) | −0.0103 (16) | 0.0342 (18) | −0.0120 (17) |
C22 | 0.079 (2) | 0.051 (2) | 0.091 (3) | −0.0184 (18) | 0.026 (2) | −0.0093 (18) |
C23 | 0.058 (2) | 0.081 (3) | 0.084 (3) | −0.0147 (19) | 0.0313 (19) | 0.001 (2) |
C24 | 0.051 (2) | 0.072 (2) | 0.064 (2) | 0.0018 (17) | 0.0158 (16) | −0.0056 (17) |
C25 | 0.0470 (17) | 0.0515 (18) | 0.0541 (18) | −0.0023 (14) | 0.0039 (14) | −0.0076 (14) |
N1 | 0.0443 (13) | 0.0316 (12) | 0.0330 (12) | 0.0019 (10) | 0.0060 (10) | −0.0032 (9) |
N2 | 0.0399 (12) | 0.0388 (13) | 0.0358 (12) | −0.0010 (10) | 0.0016 (10) | 0.0026 (10) |
O1 | 0.0398 (11) | 0.0433 (11) | 0.0462 (11) | −0.0080 (8) | 0.0009 (8) | −0.0105 (8) |
O2 | 0.0577 (13) | 0.0571 (13) | 0.0682 (14) | −0.0152 (10) | 0.0209 (11) | −0.0282 (11) |
Cl1 | 0.0519 (4) | 0.0330 (3) | 0.0466 (4) | −0.0034 (3) | 0.0096 (3) | 0.0086 (3) |
N3 | 0.0609 (17) | 0.0593 (18) | 0.0713 (19) | −0.0270 (14) | 0.0264 (14) | −0.0223 (14) |
Cu1—O1 | 1.9423 (16) | C12—H12 | 0.9300 |
Cu1—N1 | 2.0241 (19) | C13—O2 | 1.239 (3) |
Cu1—N2 | 2.045 (2) | C13—O1 | 1.279 (3) |
Cu1—Cl1 | 2.3010 (7) | C13—C14 | 1.500 (3) |
Cu1—O2 | 2.700 (2) | C14—C15 | 1.393 (3) |
Cu1—Cl1i | 2.7011 (8) | C14—C19 | 1.413 (3) |
C1—N2 | 1.326 (3) | C15—C16 | 1.373 (3) |
C1—C2 | 1.388 (4) | C15—H15 | 0.9300 |
C1—H1 | 0.9300 | C16—C17 | 1.374 (4) |
C2—C3 | 1.359 (5) | C16—H16 | 0.9300 |
C2—H2 | 0.9300 | C17—C18 | 1.374 (4) |
C3—C4 | 1.395 (4) | C17—H17 | 0.9300 |
C3—H3 | 0.9300 | C18—C19 | 1.396 (4) |
C4—C5 | 1.402 (3) | C18—H18 | 0.9300 |
C4—C6 | 1.433 (4) | C19—N3 | 1.388 (3) |
C5—N2 | 1.361 (3) | C20—C21 | 1.386 (4) |
C5—C9 | 1.423 (3) | C20—C25 | 1.391 (4) |
C6—C7 | 1.345 (4) | C20—N3 | 1.399 (3) |
C6—H6 | 0.9300 | C21—C22 | 1.384 (4) |
C7—C8 | 1.424 (4) | C21—H21 | 0.9300 |
C7—H7 | 0.9300 | C22—C23 | 1.367 (4) |
C8—C12 | 1.396 (4) | C22—H22 | 0.9300 |
C8—C9 | 1.400 (3) | C23—C24 | 1.382 (4) |
C9—N1 | 1.361 (3) | C23—H23 | 0.9300 |
C10—N1 | 1.322 (3) | C24—C25 | 1.372 (4) |
C10—C11 | 1.389 (4) | C24—H24 | 0.9300 |
C10—H10 | 0.9300 | C25—H25 | 0.9300 |
C11—C12 | 1.350 (4) | Cl1—Cu1i | 2.7011 (8) |
C11—H11 | 0.9300 | N3—H3N | 0.91 (3) |
O1—Cu1—N1 | 171.49 (8) | O2—C13—O1 | 122.9 (2) |
O1—Cu1—N2 | 91.26 (8) | O2—C13—C14 | 121.5 (2) |
O2—Cu1—N1 | 121.94 (6) | O1—C13—C14 | 115.6 (2) |
O2—Cu1—N2 | 85.45 (8) | C15—C14—C19 | 118.3 (2) |
N1—Cu1—N2 | 80.73 (8) | C15—C14—C13 | 119.3 (2) |
O1—Cu1—Cl1 | 93.86 (6) | C19—C14—C13 | 122.4 (2) |
O2—Cu1—Cl1 | 90.70 (6) | C16—C15—C14 | 122.4 (3) |
N1—Cu1—Cl1 | 93.65 (6) | C16—C15—H15 | 118.8 |
N2—Cu1—Cl1 | 170.08 (6) | C14—C15—H15 | 118.8 |
O1—Cu1—Cl1i | 94.02 (6) | C15—C16—C17 | 119.0 (3) |
O2—Cu1—Cl1i | 147.97 (6) | C15—C16—H16 | 120.5 |
N1—Cu1—Cl1i | 89.91 (6) | C17—C16—H16 | 120.5 |
N2—Cu1—Cl1i | 97.64 (6) | C18—C17—C16 | 120.5 (3) |
Cl1—Cu1—Cl1i | 90.47 (2) | C18—C17—H17 | 119.7 |
O1—Cu1—O2 | 53.97 (7) | C16—C17—H17 | 119.7 |
N2—C1—C2 | 122.2 (3) | C17—C18—C19 | 121.4 (3) |
N2—C1—H1 | 118.9 | C17—C18—H18 | 119.3 |
C2—C1—H1 | 118.9 | C19—C18—H18 | 119.3 |
C3—C2—C1 | 120.1 (3) | N3—C19—C18 | 121.7 (3) |
C3—C2—H2 | 119.9 | N3—C19—C14 | 119.8 (2) |
C1—C2—H2 | 119.9 | C18—C19—C14 | 118.5 (3) |
C2—C3—C4 | 119.9 (3) | C21—C20—C25 | 118.3 (3) |
C2—C3—H3 | 120.0 | C21—C20—N3 | 123.8 (3) |
C4—C3—H3 | 120.0 | C25—C20—N3 | 117.8 (3) |
C3—C4—C5 | 116.5 (3) | C22—C21—C20 | 120.2 (3) |
C3—C4—C6 | 125.4 (3) | C22—C21—H21 | 119.9 |
C5—C4—C6 | 118.0 (3) | C20—C21—H21 | 119.9 |
N2—C5—C4 | 123.5 (3) | C23—C22—C21 | 120.6 (3) |
N2—C5—C9 | 116.3 (2) | C23—C22—H22 | 119.7 |
C4—C5—C9 | 120.2 (2) | C21—C22—H22 | 119.7 |
C7—C6—C4 | 121.4 (3) | C22—C23—C24 | 120.0 (3) |
C7—C6—H6 | 119.3 | C22—C23—H23 | 120.0 |
C4—C6—H6 | 119.3 | C24—C23—H23 | 120.0 |
C6—C7—C8 | 121.6 (3) | C25—C24—C23 | 119.5 (3) |
C6—C7—H7 | 119.2 | C25—C24—H24 | 120.2 |
C8—C7—H7 | 119.2 | C23—C24—H24 | 120.2 |
C12—C8—C9 | 116.7 (3) | C24—C25—C20 | 121.3 (3) |
C12—C8—C7 | 125.1 (3) | C24—C25—H25 | 119.3 |
C9—C8—C7 | 118.2 (3) | C20—C25—H25 | 119.3 |
N1—C9—C8 | 122.9 (2) | C10—N1—C9 | 117.8 (2) |
N1—C9—C5 | 116.6 (2) | C10—N1—Cu1 | 128.62 (18) |
C8—C9—C5 | 120.5 (2) | C9—N1—Cu1 | 113.47 (16) |
N1—C10—C11 | 122.6 (3) | C1—N2—C5 | 117.7 (2) |
N1—C10—H10 | 118.7 | C1—N2—Cu1 | 129.35 (19) |
C11—C10—H10 | 118.7 | C5—N2—Cu1 | 112.90 (16) |
C12—C11—C10 | 119.6 (3) | C13—O1—Cu1 | 108.82 (16) |
C12—C11—H11 | 120.2 | Cu1—Cl1—Cu1i | 89.53 (2) |
C10—C11—H11 | 120.2 | C19—N3—C20 | 127.8 (2) |
C11—C12—C8 | 120.3 (3) | C19—N3—H3N | 112 (2) |
C11—C12—H12 | 119.9 | C20—N3—H3N | 116 (2) |
C8—C12—H12 | 119.9 |
Symmetry code: (i) −x+1, −y+1, −z+1. |
D—H···A | D—H | H···A | D···A | D—H···A |
N3—H3N···O2 | 0.91 (3) | 1.88 (3) | 2.652 (3) | 142 (3) |
Experimental details
Crystal data | |
Chemical formula | [Cu2(C13H10NO2)2Cl2(C12H8N2)2] |
Mr | 982.83 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 293 |
a, b, c (Å) | 14.1685 (18), 10.3545 (13), 14.9955 (19) |
β (°) | 100.843 (2) |
V (Å3) | 2160.7 (5) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 1.16 |
Crystal size (mm) | 0.40 × 0.32 × 0.28 |
Data collection | |
Diffractometer | Bruker SMART APEX CCD area-detector |
Absorption correction | Multi-scan (SADABS; Sheldrick, 1996) |
Tmin, Tmax | 0.643, 0.718 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 12962, 5099, 3284 |
Rint | 0.041 |
(sin θ/λ)max (Å−1) | 0.666 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.040, 0.092, 1.03 |
No. of reflections | 5099 |
No. of parameters | 292 |
H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
Δρmax, Δρmin (e Å−3) | 0.30, −0.46 |
Computer programs: SMART (Bruker, 1997), SAINT (Bruker, 1997), SAINT, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), SHELXTL-Plus (Sheldrick, 1990), SHELXL97.
Cu1—O1 | 1.9423 (16) | Cu1—Cl1 | 2.3010 (7) |
Cu1—N1 | 2.0241 (19) | Cu1—O2 | 2.700 (2) |
Cu1—N2 | 2.045 (2) | Cu1—Cl1i | 2.7011 (8) |
O1—Cu1—N1 | 171.49 (8) | N2—Cu1—Cl1 | 170.08 (6) |
O1—Cu1—N2 | 91.26 (8) | O1—Cu1—Cl1i | 94.02 (6) |
O2—Cu1—N1 | 121.94 (6) | O2—Cu1—Cl1i | 147.97 (6) |
O2—Cu1—N2 | 85.45 (8) | N1—Cu1—Cl1i | 89.91 (6) |
N1—Cu1—N2 | 80.73 (8) | N2—Cu1—Cl1i | 97.64 (6) |
O1—Cu1—Cl1 | 93.86 (6) | Cl1—Cu1—Cl1i | 90.47 (2) |
O2—Cu1—Cl1 | 90.70 (6) | O1—Cu1—O2 | 53.97 (7) |
N1—Cu1—Cl1 | 93.65 (6) |
Symmetry code: (i) −x+1, −y+1, −z+1. |
D—H···A | D—H | H···A | D···A | D—H···A |
N3—H3N···O2 | 0.91 (3) | 1.88 (3) | 2.652 (3) | 142 (3) |
As part of our investigation of the transition metal complexes, there is a need to prepare further examples of these compounds. In this paper, the structure of the title compound, (I), is described.
As shown in Fig. 1, the coordination polyhedron around the CuII atom is a square pyramid, comprising one O atom from a 2-anilinobenzoate ligand, two N atoms from a 1,10-phenanthroline ligand and two Cl- anions. In addition, there is a weak interaction of 2.700 (2)Å between Cu1 and O2 (Table 1). The two Cl- anions bridge two CuII atoms to form a dimeric complex molecule, which lies on an inversion center. The bond distances and angles are normal (Atria et al., 1994). There exists intramolecular N—H···O hydrogen bond in (I) (Table 2).