Literature DB >> 24860320

Poly[bis-(μ-2-amino-4-nitro-benzoato)di-μ-aqua-dirubidium].

Graham Smith1.   

Abstract

In the structure of the title salt, [Rb2(C7H5N2O4)2(H2O)2] n , the asymmetric unit comprises two independent and different seven-coordinate Rb(+) cations, one forming an RbO7 polyhedron, the other a RbO6N polyhedron, each of which is considerably distorted. The RbO7 polyhedron comprises bridging O-atom donors from two water mol-ecules, three carboxyl-ate groups, and two nitro groups. The RbO6N polyhedron comprises the two bridging water mol-ecules, one monodentate amine N-atom donor, one carboxyl O-atom donor and three O-atom donors from nitro groups (one from the chelate bridge). The extension of the dinuclear unit gives a three-dimensional polymeric structure which is stabilized by both intra- and inter-molecular amine N-H⋯O and water O-H⋯O hydrogen bonds to carboxyl and water O-atom acceptors, as well as a number of inter-ring π-π inter-actions [minimum centroid-centroid separation = 3.364 (2) Å]. The title salt is isostructural with the analogous caesium salt.

Entities:  

Year:  2014        PMID： 24860320      PMCID： PMC4011243          DOI： 10.1107/S1600536814008861

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN： 1600-5368


Related literature

For the structures of some rubidium salts of substituted benzoic acids, see: Wiesbrock & Schmidbaur (2003 ▶); Dinnebier et al. (2002 ▶); Hu et al. (2005 ▶); Miao et al. (2011 ▶). For the structures of caesium 4-nitro­anthranilate and caesium 3,5-di­nitro­salicylate, see: Smith & Wermuth (2011 ▶) and Meng (2011 ▶), respectively. For the structures of the sodium and potassium 4-nitro­anthranilates, see: Smith (2013 ▶).

Experimental

Crystal data

[Rb2(C7H5N2O4)2(H2O)2] M = 569.23 Monoclinic, a = 15.2938 (9) Å b = 6.8601 (3) Å c = 17.8075 (10) Å β = 99.996 (5)° V = 1839.95 (17) Å3 Z = 4 Mo Kα radiation μ = 5.39 mm−1 T = 200 K 0.30 × 0.18 × 0.08 mm

Data collection

Oxford Diffraction Gemini-S CCD diffractometer Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2013 ▶) T min = 0.691, T max = 0.980 6954 measured reflections 3634 independent reflections 2708 reflections with I > 2σ(I) R int = 0.046

Refinement

R[F 2 > 2σ(F 2)] = 0.046 wR(F 2) = 0.075 S = 1.03 3634 reflections 295 parameters 8 restraints H atoms treated by a mixture of independent and constrained refinement Δρmax = 0.61 e Å−3 Δρmin = −0.51 e Å−3 Data collection: CrysAlis PRO (Agilent, 2013 ▶); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶) within WinGX (Farrugia, 2012 ▶); molecular graphics: PLATON (Spek, 2009 ▶); software used to prepare material for publication: PLATON. Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536814008861/wm5020sup1.cif Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536814008861/wm5020Isup2.hkl CCDC reference: 998206 Additional supporting information: crystallographic information; 3D view; checkCIF report
[Rb2(C7H5N2O4)2(H2O)2]F(000) = 1120
Mr = 569.23Dx = 2.055 Mg m−3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 1131 reflections
a = 15.2938 (9) Åθ = 3.4–26.4°
b = 6.8601 (3) ŵ = 5.39 mm−1
c = 17.8075 (10) ÅT = 200 K
β = 99.996 (5)°Plate, orange red
V = 1839.95 (17) Å30.30 × 0.18 × 0.08 mm
Z = 4
Oxford Diffraction Gemini-S CCD diffractometer3634 independent reflections
Radiation source: Enhance (Mo) X-ray source2708 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.046
Detector resolution: 16.077 pixels mm-1θmax = 26.0°, θmin = 3.3°
ω scansh = −15→18
Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2013)k = −7→8
Tmin = 0.691, Tmax = 0.980l = −15→21
6954 measured reflections
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.046Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.075H atoms treated by a mixture of independent and constrained refinement
S = 1.03w = 1/[σ2(Fo2) + (0.0163P)2] where P = (Fo2 + 2Fc2)/3
3634 reflections(Δ/σ)max = 0.001
295 parametersΔρmax = 0.61 e Å−3
8 restraintsΔρmin = −0.51 e Å−3
Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles
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.
xyzUiso*/Ueq
Rb10.84018 (3)−0.11232 (6)0.71945 (2)0.0291 (2)
Rb20.90021 (3)0.21443 (7)0.54097 (3)0.0333 (2)
O1W0.8411 (2)0.3229 (4)0.68713 (19)0.0313 (11)
O2W0.8861 (2)−0.2009 (5)0.5656 (2)0.0395 (12)
O11A0.26528 (19)0.4400 (4)0.47291 (17)0.0316 (11)
O11B1.01609 (19)0.4261 (4)0.26964 (17)0.0324 (11)
O12A0.29906 (19)0.4056 (4)0.35752 (16)0.0312 (11)
O12B0.9810 (2)0.4779 (5)0.38434 (17)0.0349 (11)
O41A0.7146 (2)0.0750 (5)0.5397 (2)0.0404 (11)
O41B0.5388 (2)0.4326 (5)0.20204 (19)0.0459 (13)
O42A0.6701 (2)0.1017 (5)0.64817 (19)0.0394 (12)
O42B0.5826 (2)0.4724 (5)0.09497 (19)0.0463 (14)
N2A0.4616 (3)0.2771 (6)0.3444 (2)0.0345 (14)
N2B0.8117 (3)0.4663 (6)0.3981 (2)0.0350 (14)
N4A0.6588 (2)0.1193 (5)0.5785 (2)0.0293 (14)
N4B0.5972 (2)0.4538 (5)0.1643 (2)0.0295 (12)
C1A0.4092 (3)0.3222 (6)0.4651 (2)0.0174 (12)
C1B0.8639 (3)0.4516 (6)0.2769 (2)0.0198 (12)
C2A0.4746 (3)0.2689 (6)0.4225 (2)0.0219 (12)
C2B0.7949 (3)0.4594 (6)0.3196 (2)0.0232 (14)
C3A0.5580 (3)0.2062 (6)0.4619 (2)0.0234 (14)
C3B0.7072 (3)0.4573 (6)0.2809 (2)0.0233 (14)
C4A0.5716 (3)0.1917 (6)0.5395 (2)0.0206 (14)
C4B0.6909 (3)0.4514 (6)0.2033 (2)0.0212 (14)
C5A0.5086 (3)0.2394 (6)0.5834 (3)0.0233 (14)
C5B0.7571 (3)0.4458 (6)0.1594 (2)0.0240 (14)
C6A0.4284 (3)0.3055 (6)0.5442 (2)0.0206 (12)
C6B0.8427 (3)0.4444 (6)0.1980 (2)0.0235 (14)
C11A0.3177 (3)0.3931 (6)0.4292 (3)0.0213 (14)
C11B0.9617 (3)0.4523 (6)0.3130 (3)0.0252 (16)
H3A0.604300.174400.434600.0280*
H5A0.519900.227400.637400.0280*
H3B0.659300.459800.308600.0280*
H5B0.743900.443000.105200.0290*
H6A0.383800.341600.572600.0250*
H6B0.889600.438300.169400.0280*
H11W0.882 (2)0.414 (5)0.695 (3)0.0470*
H12W0.796 (2)0.404 (5)0.671 (3)0.0470*
H21A0.4027 (14)0.282 (6)0.325 (2)0.0420*
H21B0.771 (2)0.503 (6)0.426 (2)0.0420*
H21W0.839 (2)−0.278 (6)0.553 (3)0.0590*
H22A0.500 (2)0.195 (5)0.323 (2)0.0420*
H22B0.8686 (15)0.503 (6)0.412 (3)0.0420*
H22W0.927 (3)−0.292 (6)0.573 (3)0.0590*
U11U22U33U12U13U23
Rb10.0343 (3)0.0294 (3)0.0220 (2)0.0052 (2)0.0004 (2)−0.0010 (2)
Rb20.0369 (3)0.0340 (3)0.0255 (3)−0.0029 (2)−0.0039 (2)−0.0018 (2)
O1W0.0256 (18)0.0285 (19)0.036 (2)−0.0001 (15)−0.0055 (15)0.0014 (16)
O2W0.032 (2)0.039 (2)0.044 (2)0.0029 (17)−0.0035 (17)0.0010 (19)
O11A0.0209 (17)0.050 (2)0.0235 (18)0.0042 (16)0.0029 (14)−0.0060 (16)
O11B0.0211 (17)0.042 (2)0.033 (2)−0.0003 (16)0.0017 (14)−0.0054 (17)
O12A0.0328 (18)0.045 (2)0.0138 (17)0.0093 (16)−0.0012 (13)0.0057 (15)
O12B0.0358 (19)0.045 (2)0.0197 (18)0.0043 (17)−0.0065 (14)−0.0050 (16)
O41A0.0231 (18)0.043 (2)0.054 (2)0.0041 (17)0.0035 (17)−0.0052 (19)
O41B0.0234 (18)0.074 (3)0.042 (2)−0.0015 (19)0.0106 (16)0.003 (2)
O42A0.038 (2)0.041 (2)0.033 (2)0.0045 (18)−0.0113 (16)0.0062 (17)
O42B0.0323 (19)0.075 (3)0.029 (2)−0.0023 (19)−0.0023 (16)0.0082 (19)
N2A0.033 (2)0.045 (3)0.026 (2)0.006 (2)0.0067 (19)−0.005 (2)
N2B0.033 (2)0.051 (3)0.022 (2)0.006 (2)0.0075 (19)0.000 (2)
N4A0.025 (2)0.018 (2)0.042 (3)−0.0049 (19)−0.0024 (19)0.001 (2)
N4B0.028 (2)0.031 (2)0.029 (2)−0.001 (2)0.0032 (18)−0.0013 (19)
C1A0.023 (2)0.013 (2)0.016 (2)−0.0031 (19)0.0027 (18)0.0016 (18)
C1B0.023 (2)0.015 (2)0.021 (2)0.003 (2)0.0029 (19)−0.0017 (19)
C2A0.026 (2)0.021 (2)0.018 (2)−0.003 (2)0.0017 (19)−0.001 (2)
C2B0.034 (3)0.015 (2)0.020 (2)0.003 (2)0.003 (2)0.0008 (19)
C3A0.021 (2)0.019 (2)0.031 (3)−0.003 (2)0.007 (2)−0.005 (2)
C3B0.023 (2)0.021 (2)0.028 (3)0.000 (2)0.010 (2)−0.001 (2)
C4A0.017 (2)0.014 (2)0.028 (3)−0.002 (2)−0.0042 (19)−0.001 (2)
C4B0.020 (2)0.014 (2)0.028 (3)−0.003 (2)0.000 (2)0.003 (2)
C5A0.026 (2)0.021 (3)0.021 (2)0.000 (2)−0.0015 (19)−0.001 (2)
C5B0.028 (2)0.025 (3)0.018 (2)−0.003 (2)0.0014 (19)−0.001 (2)
C6A0.024 (2)0.017 (2)0.020 (2)−0.003 (2)0.0020 (19)−0.0019 (19)
C6B0.025 (2)0.021 (2)0.026 (3)−0.004 (2)0.009 (2)−0.002 (2)
C11A0.019 (2)0.018 (2)0.026 (3)−0.002 (2)0.0015 (19)0.001 (2)
C11B0.029 (3)0.018 (2)0.028 (3)0.003 (2)0.003 (2)−0.001 (2)
Rb1—O1W3.041 (3)N2B—C2B1.378 (5)
Rb1—O2W3.006 (3)N4A—C4A1.479 (5)
Rb1—O42A3.064 (3)N4B—C4B1.480 (5)
Rb1—O42Ai3.092 (3)N2A—H21A0.91 (2)
Rb1—O12Aii3.074 (3)N2A—H22A0.94 (3)
Rb1—O11Biii3.059 (3)N2B—H21B0.90 (3)
Rb1—O12Aiv2.998 (3)N2B—H22B0.90 (3)
Rb2—O1W2.994 (3)C1A—C2A1.405 (6)
Rb2—O2W2.897 (3)C1A—C6A1.393 (5)
Rb2—O41A2.992 (3)C1A—C11A1.514 (6)
Rb2—N2B3.177 (4)C1B—C2B1.405 (6)
Rb2—O42Bv2.984 (3)C1B—C6B1.387 (5)
Rb2—O12Bvi2.947 (3)C1B—C11B1.522 (7)
Rb2—O42Biv3.069 (3)C2A—C3A1.412 (6)
O11A—C11A1.253 (6)C2B—C3B1.398 (6)
O11B—C11B1.242 (6)C3A—C4A1.365 (5)
O12A—C11A1.262 (6)C3B—C4B1.362 (5)
O12B—C11B1.266 (6)C4A—C5A1.381 (6)
O41A—N4A1.226 (5)C4B—C5B1.383 (6)
O41B—N4B1.216 (5)C5A—C6A1.378 (6)
O42A—N4A1.229 (5)C5B—C6B1.369 (6)
O42B—N4B1.223 (5)C3A—H3A0.9500
O1W—H11W0.88 (3)C3B—H3B0.9500
O1W—H12W0.89 (3)C5A—H5A0.9500
O2W—H21W0.89 (4)C5B—H5B0.9500
O2W—H22W0.88 (4)C6A—H6A0.9500
N2A—C2A1.372 (5)C6B—H6B0.9500
O1W—Rb1—O2W90.95 (9)Rb1—O2W—H22W106 (3)
O1W—Rb1—O42A58.84 (9)H21W—O2W—H22W98 (4)
O1W—Rb1—O42Ai140.33 (9)Rb2—O2W—H22W131 (3)
O1W—Rb1—O12Aii125.72 (8)Rb2—O2W—H21W129 (3)
O1W—Rb1—O11Biii132.54 (8)Rb2—N2B—C2B140.6 (3)
O1W—Rb1—O12Aiv72.50 (8)O41A—N4A—C4A118.6 (3)
O2W—Rb1—O42A92.01 (9)O41A—N4A—O42A123.7 (3)
O2W—Rb1—O42Ai128.13 (9)O42A—N4A—C4A117.7 (3)
O2W—Rb1—O12Aii73.42 (8)O41B—N4B—O42B123.2 (3)
O2W—Rb1—O11Biii68.69 (9)O41B—N4B—C4B118.9 (3)
O2W—Rb1—O12Aiv163.43 (9)O42B—N4B—C4B117.9 (3)
O42A—Rb1—O42Ai117.91 (9)C2A—N2A—H22A113 (2)
O12Aii—Rb1—O42A69.90 (8)H21A—N2A—H22A121 (3)
O11Biii—Rb1—O42A155.88 (8)C2A—N2A—H21A110 (2)
O12Aiv—Rb1—O42A80.17 (8)Rb2—N2B—H22B71 (3)
O12Aii—Rb1—O42Ai78.56 (8)C2B—N2B—H21B123 (2)
O11Biii—Rb1—O42Ai68.66 (8)Rb2—N2B—H21B87 (2)
O12Aiv—Rb1—O42Ai68.24 (8)H21B—N2B—H22B120 (4)
O11Biii—Rb1—O12Aii90.13 (8)C2B—N2B—H22B107 (3)
O12Aii—Rb1—O12Aiv116.59 (8)C6A—C1A—C11A118.1 (4)
O11Biii—Rb1—O12Aiv122.11 (8)C2A—C1A—C11A123.2 (3)
O1W—Rb2—O2W94.08 (9)C2A—C1A—C6A118.7 (4)
O1W—Rb2—O41A69.92 (9)C2B—C1B—C6B119.0 (4)
O1W—Rb2—N2B114.21 (10)C2B—C1B—C11B123.1 (3)
O1W—Rb2—O42Bv157.81 (9)C6B—C1B—C11B117.9 (4)
O1W—Rb2—O12Bvi71.65 (8)N2A—C2A—C1A123.1 (4)
O1W—Rb2—O42Biv103.10 (9)C1A—C2A—C3A118.5 (3)
O2W—Rb2—O41A65.87 (9)N2A—C2A—C3A118.4 (4)
O2W—Rb2—N2B128.58 (10)N2B—C2B—C3B119.7 (4)
O2W—Rb2—O42Bv66.11 (10)N2B—C2B—C1B121.7 (4)
O2W—Rb2—O12Bvi133.82 (9)C1B—C2B—C3B118.7 (3)
O2W—Rb2—O42Biv68.24 (9)C2A—C3A—C4A119.4 (4)
O41A—Rb2—N2B84.03 (11)C2B—C3B—C4B119.5 (4)
O41A—Rb2—O42Bv91.89 (9)C3A—C4A—C4A123.9 (4)
O12Bvi—Rb2—O41A137.91 (9)N4A—C4A—C5A118.3 (3)
O41A—Rb2—O42Biv132.73 (9)N4A—C4A—C3A117.8 (4)
O42Bv—Rb2—N2B74.83 (10)C3B—C4B—C5B123.5 (4)
O12Bvi—Rb2—N2B96.63 (10)N4B—C4B—C5B118.6 (3)
O42Biv—Rb2—N2B135.71 (10)N4B—C4B—C3B117.9 (4)
O12Bvi—Rb2—O42Bv129.07 (9)C4A—C5A—C6A116.0 (4)
O42Bv—Rb2—O42Biv79.55 (9)C4B—C5B—C6B116.5 (3)
O12Bvi—Rb2—O42Biv72.67 (9)C1A—C6A—C5A123.5 (4)
Rb1—O1W—Rb286.13 (8)C1B—C6B—C5B122.9 (4)
Rb1—O2W—Rb288.54 (9)O12A—C11A—C1A118.6 (4)
Rb1iii—O11B—C11B127.9 (3)O11A—C11A—O12A123.7 (4)
Rb1ii—O12A—C11A115.1 (3)O11A—C11A—C1A117.7 (4)
Rb1vii—O12A—C11A145.0 (3)O11B—C11B—O12B125.4 (4)
Rb1ii—O12A—Rb1vii99.88 (8)O11B—C11B—C1B116.9 (4)
Rb2vi—O12B—C11B124.8 (3)O12B—C11B—C1B117.7 (4)
Rb2—O41A—N4A132.0 (3)C2A—C3A—H3A120.00
Rb1—O42A—N4A115.2 (2)C4A—C3A—H3A120.00
Rb1—O42A—Rb1viii98.05 (9)C2B—C3B—H3B120.00
Rb1viii—O42A—N4A133.7 (3)C4B—C3B—H3B120.00
Rb2ix—O42B—N4B148.3 (3)C4A—C5A—H5A122.00
Rb2vii—O42B—N4B105.6 (2)C6A—C5A—H5A122.00
Rb2ix—O42B—Rb2vii100.45 (10)C4B—C5B—H5B122.00
Rb1—O1W—H12W130 (2)C6B—C5B—H5B122.00
Rb2—O1W—H11W90 (3)C1A—C6A—H6A118.00
Rb2—O1W—H12W102 (3)C5A—C6A—H6A118.00
H11W—O1W—H12W96 (3)C1B—C6B—H6B119.00
Rb1—O1W—H11W134 (2)C5B—C6B—H6B118.00
Rb1—O2W—H21W93 (3)
O2W—Rb1—O1W—Rb2−4.05 (8)O1W—Rb2—O12Bvi—C11Bvi30.1 (3)
O42A—Rb1—O1W—Rb2−95.84 (10)O2W—Rb2—O12Bvi—C11Bvi−47.5 (4)
O42Ai—Rb1—O1W—Rb2166.82 (10)O41A—Rb2—O12Bvi—C11Bvi55.0 (4)
O12Aii—Rb1—O1W—Rb2−74.20 (10)N2B—Rb2—O12Bvi—C11Bvi143.4 (3)
O11Biii—Rb1—O1W—Rb257.38 (13)O1W—Rb2—O42Biv—Rb2iii157.48 (9)
O12Aiv—Rb1—O1W—Rb2175.23 (10)O1W—Rb2—O42Biv—N4Biv−4.3 (3)
O1W—Rb1—O2W—Rb24.18 (9)O2W—Rb2—O42Biv—Rb2iii68.29 (10)
O42A—Rb1—O2W—Rb263.04 (9)O2W—Rb2—O42Biv—N4Biv−93.5 (3)
O42Ai—Rb1—O2W—Rb2−168.43 (8)O41A—Rb2—O42Biv—Rb2iii82.84 (14)
O12Aii—Rb1—O2W—Rb2131.36 (9)O41A—Rb2—O42Biv—N4Biv−79.0 (3)
O11Biii—Rb1—O2W—Rb2−131.82 (10)N2B—Rb2—O42Biv—Rb2iii−55.24 (16)
O1W—Rb1—O42A—N4A85.4 (3)N2B—Rb2—O42Biv—N4Biv142.9 (2)
O1W—Rb1—O42A—Rb1viii−61.55 (10)Rb1iii—O11B—C11B—O12B55.8 (6)
O2W—Rb1—O42A—N4A−4.5 (3)Rb1iii—O11B—C11B—C1B−123.6 (3)
O2W—Rb1—O42A—Rb1viii−151.44 (9)Rb1ii—O12A—C11A—O11A−69.9 (5)
O42Ai—Rb1—O42A—N4A−140.4 (3)Rb1ii—O12A—C11A—C1A111.6 (3)
O42Ai—Rb1—O42A—Rb1viii72.69 (11)Rb1vii—O12A—C11A—O11A112.4 (5)
O12Aii—Rb1—O42A—N4A−76.1 (3)Rb1vii—O12A—C11A—C1A−66.1 (6)
O12Aii—Rb1—O42A—Rb1viii137.04 (10)Rb2vi—O12B—C11B—O11B56.1 (5)
O11Biii—Rb1—O42A—N4A−40.3 (4)Rb2vi—O12B—C11B—C1B−124.4 (3)
O11Biii—Rb1—O42A—Rb1viii172.79 (15)Rb2—O41A—N4A—O42A−59.4 (5)
O12Aiv—Rb1—O42A—N4A160.8 (3)Rb2—O41A—N4A—C4A122.8 (3)
O12Aiv—Rb1—O42A—Rb1viii13.87 (8)Rb1—O42A—N4A—O41A−7.6 (5)
O1W—Rb1—O42Ai—Rb1i119.97 (12)Rb1—O42A—N4A—C4A170.2 (3)
O1W—Rb1—O42Ai—N4Ai−16.9 (4)Rb1viii—O42A—N4A—O41A124.0 (4)
O2W—Rb1—O42Ai—Rb1i−71.66 (12)Rb1viii—O42A—N4A—C4A−58.2 (5)
O2W—Rb1—O42Ai—N4Ai151.4 (3)Rb2ix—O42B—N4B—O41B120.8 (5)
O42A—Rb1—O42Ai—Rb1i46.14 (12)Rb2ix—O42B—N4B—C4B−61.0 (6)
O42A—Rb1—O42Ai—N4Ai−90.8 (3)Rb2vii—O42B—N4B—O41B−23.4 (4)
O1W—Rb1—O12Aii—Rb1i−131.30 (9)Rb2vii—O42B—N4B—C4B154.7 (3)
O1W—Rb1—O12Aii—C11Aii47.4 (3)Rb2—N2B—C2B—C1B−62.6 (6)
O2W—Rb1—O12Aii—Rb1i149.82 (10)Rb2—N2B—C2B—C3B116.5 (5)
O2W—Rb1—O12Aii—C11Aii−31.5 (3)O41A—N4A—C4A—C3A−0.3 (6)
O42A—Rb1—O12Aii—Rb1i−111.67 (10)O41A—N4A—C4A—C5A179.3 (4)
O42A—Rb1—O12Aii—C11Aii67.0 (3)O42A—N4A—C4A—C3A−178.2 (4)
O1W—Rb1—O11Biii—C11Biii−44.3 (4)O42A—N4A—C4A—C5A1.4 (6)
O2W—Rb1—O11Biii—C11Biii26.2 (3)O41B—N4B—C4B—C3B−10.5 (6)
O42A—Rb1—O11Biii—C11Biii65.0 (4)O41B—N4B—C4B—C5B170.3 (4)
O1W—Rb1—O12Aiv—Rb1viii46.25 (8)O42B—N4B—C4B—C3B171.3 (4)
O1W—Rb1—O12Aiv—C11Aiv−131.6 (5)O42B—N4B—C4B—C5B−7.9 (6)
O42A—Rb1—O12Aiv—Rb1viii−14.02 (8)C6A—C1A—C2A—N2A178.9 (4)
O42A—Rb1—O12Aiv—C11Aiv168.1 (5)C6A—C1A—C2A—C3A−1.9 (6)
O2W—Rb2—O1W—Rb14.22 (9)C11A—C1A—C2A—N2A0.3 (7)
O41A—Rb2—O1W—Rb166.67 (9)C11A—C1A—C2A—C3A179.5 (4)
N2B—Rb2—O1W—Rb1140.07 (10)C2A—C1A—C6A—C5A0.1 (6)
O42Bv—Rb2—O1W—Rb130.1 (3)C11A—C1A—C6A—C5A178.8 (4)
O12Bvi—Rb2—O1W—Rb1−130.83 (10)C2A—C1A—C11A—O11A−178.7 (4)
O42Biv—Rb2—O1W—Rb1−64.38 (9)C2A—C1A—C11A—O12A−0.2 (6)
O1W—Rb2—O2W—Rb1−4.26 (9)C6A—C1A—C11A—O11A2.7 (6)
O41A—Rb2—O2W—Rb1−70.11 (9)C6A—C1A—C11A—O12A−178.8 (4)
N2B—Rb2—O2W—Rb1−129.90 (12)C6B—C1B—C2B—N2B179.8 (4)
O42Bv—Rb2—O2W—Rb1−173.89 (11)C6B—C1B—C2B—C3B0.7 (6)
O12Bvi—Rb2—O2W—Rb164.09 (13)C11B—C1B—C2B—N2B−0.7 (6)
O42Biv—Rb2—O2W—Rb198.23 (10)C11B—C1B—C2B—C3B−179.8 (4)
O1W—Rb2—O41A—N4A17.2 (3)C2B—C1B—C6B—C5B0.4 (6)
O2W—Rb2—O41A—N4A121.5 (4)C11B—C1B—C6B—C5B−179.1 (4)
N2B—Rb2—O41A—N4A−101.3 (4)C2B—C1B—C11B—O11B173.3 (4)
O42Bv—Rb2—O41A—N4A−175.8 (4)C2B—C1B—C11B—O12B−6.2 (6)
O12Bvi—Rb2—O41A—N4A−8.0 (4)C6B—C1B—C11B—O11B−7.2 (6)
O42Biv—Rb2—O41A—N4A106.7 (4)C6B—C1B—C11B—O12B173.3 (4)
O1W—Rb2—N2B—C2B−159.6 (5)N2A—C2A—C3A—C4A−178.2 (4)
O2W—Rb2—N2B—C2B−42.3 (5)C1A—C2A—C3A—C4A2.6 (6)
O41A—Rb2—N2B—C2B−94.7 (5)N2B—C2B—C3B—C4B179.7 (4)
O42Bv—Rb2—N2B—C2B−1.1 (5)C1B—C2B—C3B—C4B−1.2 (6)
O12Bvi—Rb2—N2B—C2B127.6 (5)C2A—C3A—C4A—N4A178.0 (4)
O42Biv—Rb2—N2B—C2B55.7 (5)C2A—C3A—C4A—C5A−1.6 (7)
O1W—Rb2—O42Bv—N4Bv115.8 (5)C2B—C3B—C4B—N4B−178.7 (4)
O1W—Rb2—O42Bv—Rb2iii−99.1 (2)C2B—C3B—C4B—C5B0.5 (6)
O2W—Rb2—O42Bv—N4Bv144.2 (5)N4A—C4A—C5A—C6A−179.8 (4)
O2W—Rb2—O42Bv—Rb2iii−70.70 (10)C3A—C4A—C5A—C6A−0.2 (6)
O41A—Rb2—O42Bv—N4Bv81.7 (5)N4B—C4B—C5B—C6B179.8 (4)
O41A—Rb2—O42Bv—Rb2iii−133.17 (10)C3B—C4B—C5B—C6B0.7 (6)
N2B—Rb2—O42Bv—N4Bv−1.6 (5)C4A—C5A—C6A—C1A1.0 (6)
N2B—Rb2—O42Bv—Rb2iii143.53 (12)C4B—C5B—C6B—C1B−1.1 (6)
D—H···AD—HH···AD···AD—H···A
N2A—H21A···O12A0.91 (2)1.97 (3)2.686 (5)134 (3)
N2A—H21A···O1Wvii0.91 (2)2.58 (4)3.149 (5)122 (3)
N2A—H22A···O11Bv0.94 (3)2.46 (3)3.206 (5)136 (3)
N2B—H21B···O11Ax0.90 (3)2.01 (3)2.831 (5)151 (3)
N2B—H22B···O12B0.90 (3)1.88 (3)2.644 (6)142 (4)
O1W—H11W···O11Bvi0.88 (3)1.92 (4)2.783 (4)167 (4)
O1W—H12W···O12Ax0.89 (3)1.96 (4)2.847 (4)176 (2)
O2W—H21W···O11Aii0.89 (4)1.93 (4)2.823 (4)178 (7)
O2W—H22W···O12Biii0.88 (4)1.95 (5)2.812 (5)166 (5)
C5A—H5A···O11Bxi0.952.593.488 (6)158
C6A—H6A···O11A0.952.402.755 (5)101
C6B—H6B···O11B0.952.402.739 (5)101
Table 1

Selected bond lengths (Å)

Rb1—O1W 3.041 (3)
Rb1—O2W 3.006 (3)
Rb1—O42A 3.064 (3)
Rb1—O42A i 3.092 (3)
Rb1—O12A ii 3.074 (3)
Rb1—O11B iii 3.059 (3)
Rb1—O12A iv 2.998 (3)
Rb2—O1W 2.994 (3)
Rb2—O2W 2.897 (3)
Rb2—O41A 2.992 (3)
Rb2—N2B 3.177 (4)
Rb2—O42B v 2.984 (3)
Rb2—O12B vi 2.947 (3)
Rb2—O42B iv 3.069 (3)

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A D—HH⋯A D⋯A D—H⋯A
N2A—H21A⋯O12A 0.91 (2)1.97 (3)2.686 (5)134 (3)
N2A—H21A⋯O1W vii 0.91 (2)2.58 (4)3.149 (5)122 (3)
N2A—H22A⋯O11B v 0.94 (3)2.46 (3)3.206 (5)136 (3)
N2B—H21B⋯O11A viii 0.90 (3)2.01 (3)2.831 (5)151 (3)
N2B—H22B⋯O12B 0.90 (3)1.88 (3)2.644 (6)142 (4)
O1W—H11W⋯O11B vi 0.88 (3)1.92 (4)2.783 (4)167 (4)
O1W—H12W⋯O12A viii 0.89 (3)1.96 (4)2.847 (4)176 (2)
O2W—H21W⋯O11A ii 0.89 (4)1.93 (4)2.823 (4)178 (7)
O2W—H22W⋯O12B iii 0.88 (4)1.95 (5)2.812 (5)166 (5)

Symmetry codes: (ii) ; (iii) ; (v) ; (vi) ; (vii) ; (viii) .

  7 in total

1.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

2.  Coordination polymeric structures in the sodium salt of 4-chloro-3-nitrobenzoic acid and the sodium and potassium salts of 4-nitroanthranilic acid.

Authors:  Graham Smith
Journal:  Acta Crystallogr C       Date:  2013-11-08       Impact factor: 1.172

3.  Crystal structures of rubidium and cesium anthranilates and salicylates.

Authors:  Frank Wiesbrock; Hubert Schmidbaur
Journal:  Inorg Chem       Date:  2003-11-03       Impact factor: 5.165

4.  Poly[(μ-2-hy-droxy-3,5-dinitro-benzoato)rubidium].

Authors:  Yan Meng
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-03-15

5.  Poly[(μ(5)-3,5-dinitro-benzoato)rubidium].

Authors:  Yanqing Miao; Xiaoqing Zhang; Chunye Liu
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-06-30

6.  Poly[di-μ-aqua-bis-(μ-2-amino-4-nitro-benzoato)dicaesium].

Authors:  Graham Smith; Urs D Wermuth
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-07-09

7.  Structure validation in chemical crystallography.

Authors:  Anthony L Spek
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2009-01-20
  7 in total
  2 in total

1.  Two di-alkyl-ammonium salts of 2-amino-4-nitro-benzoic acid: crystal structures and Hirshfeld surface analysis.

Authors:  James L Wardell; Mukesh M Jotani; Edward R T Tiekink
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2016-11-01

2.  Hydrazinium 2-amino-4-nitro-benzoate dihydrate: crystal structure and Hirshfeld surface analysis.

Authors:  James L Wardell; Mukesh M Jotani; Edward R T Tiekink
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2017-03-24
  2 in total

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