Bis(2-aminona­phthalene-1-sulfonato-κO)bis­(1,10-phenanthroline)zinc(II)

In the title compound, [Zn(C₁₀H₈NO₃S)₂(C₁₂H₈N₂)₂], the Zn^II atom lies on a crystallographic twofold axis and is in a distorted octa­hedral coordination geometry formed by four N atoms from two chelating 1,10-phenanthroline ligands and two O atoms from two 2-aminona­phthalene-1-sulfonate ligands. In the crystal structure, inter­molecular N—H...O and C—H...O hydrogen bonds link mol­ecules to form a three-dimensional network. In addition, there is a single intra­molecular π–π stacking inter­action.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.004 Å
• R factor = 0.023
• wR factor = 0.060
• Data-to-parameter ratio = 12.6

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.58 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C7     -   C8      ..       6.07 su

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           25.02
           From the CIF: _reflns_number_total               3362
           Count of symmetry unique reflns         1997
           Completeness (_total/calc)            168.35%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      1365
           Fraction of Friedel pairs measured     0.684
           Are heavy atom types Z>Si present        yes
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   3 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

   3 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
   1 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, 2003); cell refinement: SAINT (Bruker, 2001; data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2001) and DIAMOND (Brandenburg & Berndt, 1999); software used to prepare material for publication: SHELXTL.

Bis(2-aminonaphthalene-1-sulfonato-κO)bis(1,10-phenanthroline)zinc(II)

Crystal data

[Zn(C10H8NO3S)2(C12H8N2)2]	Dx = 1.517 Mg m^−3
Mr = 870.25	Mo Kα radiation, λ = 0.71073 Å
Tetragonal, P41212	Cell parameters from 7547 reflections
Hall symbol: P 4abw 2nw	θ = 2.3–24.3°
a = 12.4631 (7) Å	µ = 0.82 mm^−1
c = 24.538 (3) Å	T = 293 K
V = 3811.4 (6) Å^3	Block, pale-yellow
Z = 4	0.28 × 0.20 × 0.18 mm
F(000) = 1792

Data collection

Bruker APEX-II CCD area-detector diffractometer	3362 independent reflections
Radiation source: fine-focus sealed tube	3176 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.029
φ and ω scans	θmax = 25.0°, θmin = 1.8°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −13→14
Tmin = 0.822, Tmax = 0.864	k = −14→14
20667 measured reflections	l = −17→29

Refinement

Refinement on F^2	H-atom parameters constrained
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.0281P)^2 + 0.6697P] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.023	(Δ/σ)max = 0.001
wR(F^2) = 0.060	Δρmax = 0.19 e Å^−3
S = 1.05	Δρmin = −0.23 e Å^−3
3362 reflections	Absolute structure: Flack (1983), 1365 Friedel pairs
267 parameters	Absolute structure parameter: 0.017 (10)
0 restraints

Special details

Experimental. IR (KBr pellet, cm^-1): 3448 (versus), 3345 (versus), 3058 (m), 1426 (versus), 1227 (versus), 1176 (versus), 1037 (versus), 853 (versus), 805 (versus), 726 (versus), 678 (versus), 624 (versus).

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 (Ų)

	x	y	z	Uiso*/Ueq
Zn1	−0.031023 (17)	0.968977 (17)	0.0000	0.03337 (9)
S1	−0.03485 (5)	0.71089 (4)	0.03622 (2)	0.03471 (12)
O1	−0.07379 (13)	0.65339 (13)	0.08274 (6)	0.0511 (4)
O2	−0.05517 (11)	0.82563 (11)	0.04210 (6)	0.0428 (4)
O3	−0.07541 (15)	0.66941 (15)	−0.01442 (7)	0.0622 (5)
N1	0.13947 (13)	0.97660 (13)	0.02063 (7)	0.0370 (4)
N3	0.1156 (2)	0.61597 (19)	−0.05288 (9)	0.0734 (7)
H3A	0.0471	0.6194	−0.0567	0.088*
H3B	0.1545	0.5890	−0.0784	0.088*
C1	0.15585 (16)	0.90480 (15)	−0.06917 (8)	0.0352 (4)
C2	0.20471 (16)	0.94234 (15)	−0.02010 (9)	0.0366 (5)
C3	0.18451 (19)	1.01208 (18)	0.06576 (10)	0.0504 (6)
H3	0.1405	1.0354	0.0940	0.060*
C4	0.2960 (2)	1.0162 (2)	0.07302 (12)	0.0636 (7)
H4	0.3248	1.0422	0.1054	0.076*
C5	0.36105 (19)	0.9822 (2)	0.03279 (13)	0.0627 (7)
H5	0.4351	0.9844	0.0373	0.075*
C6	0.31689 (17)	0.94333 (17)	−0.01598 (11)	0.0490 (6)
C7	0.3803 (2)	0.9056 (2)	−0.06147 (13)	0.0627 (8)
H7	0.4547	0.9063	−0.0590	0.075*
C8	0.3337 (2)	0.8699 (2)	−0.10672 (13)	0.0595 (7)
H8	0.3764	0.8460	−0.1353	0.071*
C9	0.22041 (19)	0.86751 (17)	−0.11243 (10)	0.0464 (6)
C10	0.1678 (2)	0.83126 (19)	−0.15952 (10)	0.0579 (7)
H10	0.2072	0.8064	−0.1891	0.069*
C11	0.0590 (2)	0.8327 (2)	−0.16162 (10)	0.0592 (7)
H11	0.0233	0.8086	−0.1926	0.071*
C13	0.10787 (17)	0.69811 (16)	0.03687 (9)	0.0366 (5)
C14	0.1622 (2)	0.65313 (17)	−0.00673 (11)	0.0496 (6)
C15	0.2762 (2)	0.6446 (2)	−0.00242 (14)	0.0705 (8)
H15	0.3145	0.6135	−0.0309	0.085*
C16	0.3293 (2)	0.6797 (2)	0.04111 (15)	0.0729 (9)
H16	0.4035	0.6718	0.0422	0.087*
C17	0.2765 (2)	0.7290 (2)	0.08630 (11)	0.0566 (6)
C18	0.3323 (2)	0.7685 (3)	0.13177 (16)	0.0800 (10)
H18	0.4068	0.7633	0.1327	0.096*
C19	0.2805 (3)	0.8138 (3)	0.17412 (14)	0.0905 (11)
H19	0.3188	0.8400	0.2038	0.109*
C20	0.1693 (3)	0.8208 (3)	0.17302 (11)	0.0786 (9)
H20	0.1332	0.8510	0.2025	0.094*
C21	0.1121 (2)	0.7842 (2)	0.12939 (9)	0.0509 (6)
H21	0.0378	0.7907	0.1296	0.061*
C22	0.16295 (17)	0.73651 (17)	0.08380 (9)	0.0402 (5)
N2	0.04732 (13)	0.90688 (13)	−0.07208 (7)	0.0368 (4)
C12	0.0013 (2)	0.87050 (18)	−0.11696 (10)	0.0494 (6)
H12	−0.0733	0.8701	−0.1188	0.059*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Zn1	0.02955 (11)	0.02955 (11)	0.04099 (18)	0.00167 (13)	0.00490 (10)	−0.00490 (10)
S1	0.0410 (3)	0.0310 (2)	0.0321 (2)	−0.0023 (2)	−0.0011 (2)	0.0001 (2)
O1	0.0533 (10)	0.0496 (9)	0.0503 (9)	−0.0066 (7)	0.0097 (8)	0.0128 (8)
O2	0.0429 (9)	0.0343 (8)	0.0511 (9)	0.0050 (6)	−0.0012 (7)	0.0042 (7)
O3	0.0699 (11)	0.0680 (12)	0.0488 (11)	−0.0049 (9)	−0.0151 (8)	−0.0155 (9)
N1	0.0337 (8)	0.0284 (8)	0.0488 (10)	−0.0013 (7)	−0.0014 (7)	−0.0032 (8)
N3	0.0983 (19)	0.0686 (15)	0.0533 (13)	−0.0089 (13)	0.0304 (13)	−0.0229 (12)
C1	0.0369 (11)	0.0253 (10)	0.0434 (11)	0.0012 (8)	0.0099 (9)	0.0028 (9)
C2	0.0303 (10)	0.0241 (10)	0.0553 (13)	0.0001 (7)	0.0080 (9)	0.0045 (9)
C3	0.0518 (13)	0.0402 (12)	0.0591 (15)	−0.0008 (10)	−0.0052 (12)	−0.0127 (11)
C4	0.0596 (16)	0.0498 (15)	0.0814 (19)	−0.0070 (12)	−0.0278 (15)	−0.0091 (14)
C5	0.0354 (12)	0.0515 (15)	0.101 (2)	−0.0025 (11)	−0.0114 (14)	0.0031 (15)
C6	0.0322 (11)	0.0383 (12)	0.0765 (17)	−0.0008 (9)	0.0039 (11)	0.0115 (11)
C7	0.0324 (13)	0.0602 (16)	0.096 (2)	0.0075 (11)	0.0234 (14)	0.0177 (16)
C8	0.0497 (15)	0.0582 (16)	0.0705 (17)	0.0102 (12)	0.0317 (14)	0.0068 (14)
C9	0.0500 (14)	0.0327 (11)	0.0564 (14)	0.0052 (10)	0.0212 (11)	0.0068 (10)
C10	0.087 (2)	0.0406 (14)	0.0466 (13)	0.0083 (12)	0.0205 (14)	−0.0056 (11)
C11	0.078 (2)	0.0530 (14)	0.0463 (14)	0.0023 (13)	0.0023 (13)	−0.0107 (11)
C13	0.0423 (11)	0.0294 (10)	0.0381 (12)	0.0052 (9)	0.0077 (10)	0.0065 (9)
C14	0.0610 (14)	0.0328 (11)	0.0550 (14)	0.0005 (10)	0.0211 (13)	−0.0004 (11)
C15	0.0651 (17)	0.0565 (15)	0.090 (2)	0.0125 (13)	0.0359 (18)	−0.0020 (17)
C16	0.0391 (14)	0.0670 (18)	0.113 (3)	0.0145 (12)	0.0179 (16)	0.0219 (18)
C17	0.0417 (13)	0.0569 (15)	0.0712 (16)	0.0056 (10)	−0.0027 (13)	0.0239 (13)
C18	0.0480 (16)	0.091 (2)	0.101 (3)	−0.0046 (15)	−0.0303 (17)	0.036 (2)
C19	0.087 (3)	0.114 (3)	0.071 (2)	−0.014 (2)	−0.045 (2)	0.007 (2)
C20	0.083 (2)	0.110 (3)	0.0431 (14)	−0.0038 (18)	−0.0207 (15)	−0.0036 (16)
C21	0.0505 (14)	0.0655 (16)	0.0366 (12)	0.0018 (12)	−0.0062 (10)	0.0014 (11)
C22	0.0394 (11)	0.0386 (11)	0.0424 (12)	0.0043 (9)	−0.0020 (10)	0.0135 (10)
N2	0.0347 (10)	0.0317 (8)	0.0441 (10)	0.0009 (7)	0.0056 (8)	−0.0050 (7)
C12	0.0518 (15)	0.0460 (13)	0.0506 (14)	−0.0001 (10)	−0.0036 (11)	−0.0093 (11)

Geometric parameters (Å, º)

Zn1—O2^i	2.0855 (14)	C7—H7	0.9300
Zn1—O2	2.0855 (14)	C8—C9	1.420 (4)
Zn1—N2^i	2.1634 (16)	C8—H8	0.9300
Zn1—N2	2.1634 (16)	C9—C10	1.404 (4)
Zn1—N1^i	2.1865 (16)	C10—C11	1.357 (4)
Zn1—N1	2.1865 (16)	C10—H10	0.9300
S1—O1	1.4324 (16)	C11—C12	1.393 (3)
S1—O3	1.4377 (16)	C11—H11	0.9300
S1—O2	1.4595 (14)	C13—C14	1.385 (3)
S1—C13	1.786 (2)	C13—C22	1.423 (3)
N1—C3	1.318 (3)	C14—C15	1.429 (4)
N1—C2	1.357 (3)	C15—C16	1.330 (4)
N3—C14	1.355 (3)	C15—H15	0.9300
N3—H3A	0.8600	C16—C17	1.429 (4)
N3—H3B	0.8600	C16—H16	0.9300
C1—N2	1.355 (3)	C17—C18	1.404 (4)
C1—C9	1.411 (3)	C17—C22	1.420 (3)
C1—C2	1.428 (3)	C18—C19	1.347 (5)
C2—C6	1.402 (3)	C18—H18	0.9300
C3—C4	1.402 (3)	C19—C20	1.390 (5)
C3—H3	0.9300	C19—H19	0.9300
C4—C5	1.346 (4)	C20—C21	1.364 (4)
C4—H4	0.9300	C20—H20	0.9300
C5—C6	1.403 (4)	C21—C22	1.416 (3)
C5—H5	0.9300	C21—H21	0.9300
C6—C7	1.446 (4)	N2—C12	1.322 (3)
C7—C8	1.329 (4)	C12—H12	0.9300
O2^i—Zn1—O2	89.89 (8)	C7—C8—C9	121.6 (2)
O2^i—Zn1—N2^i	99.42 (6)	C7—C8—H8	119.2
O2—Zn1—N2^i	85.99 (6)	C9—C8—H8	119.2
O2^i—Zn1—N2	85.99 (6)	C10—C9—C1	117.3 (2)
O2—Zn1—N2	99.42 (6)	C10—C9—C8	123.6 (2)
N2^i—Zn1—N2	172.41 (9)	C1—C9—C8	119.1 (2)
O2^i—Zn1—N1^i	93.60 (6)	C11—C10—C9	119.6 (2)
O2—Zn1—N1^i	162.46 (6)	C11—C10—H10	120.2
N2^i—Zn1—N1^i	76.48 (7)	C9—C10—H10	120.2
N2—Zn1—N1^i	97.97 (6)	C10—C11—C12	119.4 (2)
O2^i—Zn1—N1	162.46 (6)	C10—C11—H11	120.3
O2—Zn1—N1	93.60 (6)	C12—C11—H11	120.3
N2^i—Zn1—N1	97.97 (6)	C14—C13—C22	121.7 (2)
N2—Zn1—N1	76.48 (7)	C14—C13—S1	121.10 (19)
N1^i—Zn1—N1	88.23 (9)	C22—C13—S1	117.23 (15)
O1—S1—O3	112.94 (10)	N3—C14—C13	125.1 (2)
O1—S1—O2	110.65 (10)	N3—C14—C15	117.6 (2)
O3—S1—O2	112.13 (10)	C13—C14—C15	117.4 (3)
O1—S1—C13	106.60 (10)	C16—C15—C14	121.9 (3)
O3—S1—C13	109.02 (11)	C16—C15—H15	119.0
O2—S1—C13	105.03 (9)	C14—C15—H15	119.0
S1—O2—Zn1	139.95 (10)	C15—C16—C17	122.4 (2)
C3—N1—C2	117.98 (18)	C15—C16—H16	118.8
C3—N1—Zn1	128.54 (15)	C17—C16—H16	118.8
C2—N1—Zn1	113.45 (13)	C18—C17—C22	120.4 (3)
C14—N3—H3A	120.0	C18—C17—C16	122.7 (3)
C14—N3—H3B	120.0	C22—C17—C16	117.0 (3)
H3A—N3—H3B	120.0	C19—C18—C17	121.5 (3)
N2—C1—C9	122.4 (2)	C19—C18—H18	119.3
N2—C1—C2	117.65 (17)	C17—C18—H18	119.3
C9—C1—C2	119.94 (19)	C18—C19—C20	119.3 (3)
N1—C2—C6	122.8 (2)	C18—C19—H19	120.3
N1—C2—C1	117.93 (18)	C20—C19—H19	120.3
C6—C2—C1	119.3 (2)	C21—C20—C19	121.0 (3)
N1—C3—C4	122.8 (2)	C21—C20—H20	119.5
N1—C3—H3	118.6	C19—C20—H20	119.5
C4—C3—H3	118.6	C20—C21—C22	121.8 (3)
C5—C4—C3	119.5 (2)	C20—C21—H21	119.1
C5—C4—H4	120.3	C22—C21—H21	119.1
C3—C4—H4	120.3	C21—C22—C17	116.1 (2)
C4—C5—C6	119.9 (2)	C21—C22—C13	124.4 (2)
C4—C5—H5	120.1	C17—C22—C13	119.6 (2)
C6—C5—H5	120.1	C12—N2—C1	118.09 (18)
C2—C6—C5	117.1 (2)	C12—N2—Zn1	127.43 (15)
C2—C6—C7	119.1 (2)	C1—N2—Zn1	114.48 (13)
C5—C6—C7	123.8 (2)	N2—C12—C11	123.2 (2)
C8—C7—C6	121.0 (2)	N2—C12—H12	118.4
C8—C7—H7	119.5	C11—C12—H12	118.4
C6—C7—H7	119.5
O1—S1—O2—Zn1	179.80 (13)	C9—C10—C11—C12	0.2 (4)
O3—S1—O2—Zn1	−53.13 (17)	O1—S1—C13—C14	121.71 (18)
C13—S1—O2—Zn1	65.13 (16)	O3—S1—C13—C14	−0.5 (2)
O2^i—Zn1—O2—S1	86.42 (15)	O2—S1—C13—C14	−120.83 (18)
N2^i—Zn1—O2—S1	−174.13 (15)	O1—S1—C13—C22	−58.62 (18)
N2—Zn1—O2—S1	0.50 (16)	O3—S1—C13—C22	179.18 (16)
N1^i—Zn1—O2—S1	−171.91 (15)	O2—S1—C13—C22	58.84 (18)
N1—Zn1—O2—S1	−76.38 (15)	C22—C13—C14—N3	−179.3 (2)
O2^i—Zn1—N1—C3	176.73 (18)	S1—C13—C14—N3	0.4 (3)
O2—Zn1—N1—C3	−82.17 (19)	C22—C13—C14—C15	1.3 (3)
N2^i—Zn1—N1—C3	4.28 (19)	S1—C13—C14—C15	−179.07 (18)
N2—Zn1—N1—C3	179.0 (2)	N3—C14—C15—C16	179.4 (3)
N1^i—Zn1—N1—C3	80.37 (18)	C13—C14—C15—C16	−1.1 (4)
O2^i—Zn1—N1—C2	−1.3 (3)	C14—C15—C16—C17	−0.5 (4)
O2—Zn1—N1—C2	99.85 (13)	C15—C16—C17—C18	−178.5 (3)
N2^i—Zn1—N1—C2	−173.70 (13)	C15—C16—C17—C22	1.9 (4)
N2—Zn1—N1—C2	1.02 (13)	C22—C17—C18—C19	0.3 (5)
N1^i—Zn1—N1—C2	−97.61 (14)	C16—C17—C18—C19	−179.3 (3)
C3—N1—C2—C6	0.0 (3)	C17—C18—C19—C20	0.5 (5)
Zn1—N1—C2—C6	178.19 (15)	C18—C19—C20—C21	−1.0 (5)
C3—N1—C2—C1	−179.46 (18)	C19—C20—C21—C22	0.7 (5)
Zn1—N1—C2—C1	−1.2 (2)	C20—C21—C22—C17	0.1 (4)
N2—C1—C2—N1	0.7 (3)	C20—C21—C22—C13	−179.2 (3)
C9—C1—C2—N1	−179.44 (18)	C18—C17—C22—C21	−0.6 (4)
N2—C1—C2—C6	−178.79 (18)	C16—C17—C22—C21	179.0 (2)
C9—C1—C2—C6	1.1 (3)	C18—C17—C22—C13	178.7 (2)
C2—N1—C3—C4	0.3 (3)	C16—C17—C22—C13	−1.7 (3)
Zn1—N1—C3—C4	−177.56 (18)	C14—C13—C22—C21	179.3 (2)
N1—C3—C4—C5	−0.4 (4)	S1—C13—C22—C21	−0.3 (3)
C3—C4—C5—C6	0.2 (4)	C14—C13—C22—C17	0.1 (3)
N1—C2—C6—C5	−0.2 (3)	S1—C13—C22—C17	−179.55 (17)
C1—C2—C6—C5	179.22 (19)	C9—C1—N2—C12	1.3 (3)
N1—C2—C6—C7	−179.82 (19)	C2—C1—N2—C12	−178.81 (18)
C1—C2—C6—C7	−0.4 (3)	C9—C1—N2—Zn1	−179.61 (15)
C4—C5—C6—C2	0.1 (4)	C2—C1—N2—Zn1	0.3 (2)
C4—C5—C6—C7	179.7 (2)	O2^i—Zn1—N2—C12	−2.39 (18)
C2—C6—C7—C8	−0.2 (4)	O2—Zn1—N2—C12	86.83 (18)
C5—C6—C7—C8	−179.8 (2)	N1^i—Zn1—N2—C12	−95.47 (18)
C6—C7—C8—C9	0.2 (4)	N1—Zn1—N2—C12	178.30 (19)
N2—C1—C9—C10	−0.3 (3)	O2^i—Zn1—N2—C1	178.62 (14)
C2—C1—C9—C10	179.77 (19)	O2—Zn1—N2—C1	−92.15 (13)
N2—C1—C9—C8	178.7 (2)	N1^i—Zn1—N2—C1	85.54 (13)
C2—C1—C9—C8	−1.2 (3)	N1—Zn1—N2—C1	−0.69 (13)
C7—C8—C9—C10	179.5 (2)	C1—N2—C12—C11	−1.5 (3)
C7—C8—C9—C1	0.6 (4)	Zn1—N2—C12—C11	179.51 (17)
C1—C9—C10—C11	−0.4 (3)	C10—C11—C12—N2	0.8 (4)
C8—C9—C10—C11	−179.4 (2)

Symmetry code: (i) y−1, x+1, −z.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N3—H3A···O3	0.86	1.95	2.646 (3)	137
N3—H3B···O1^ii	0.86	2.19	2.894 (3)	139
C12—H12···O2^i	0.93	2.45	3.004 (3)	118
C21—H21···O1	0.93	2.49	3.055 (3)	120
C21—H21···O2	0.93	2.48	3.033 (3)	118
C7—H7···O1^iii	0.93	2.56	3.453 (3)	162
C8—H8···O3^iv	0.93	2.54	3.394 (4)	153

Symmetry codes: (i) y−1, x+1, −z; (ii) y−1/2, −x+1/2, z−1/4; (iii) y, x+1, −z; (iv) x+1/2, −y+3/2, −z−1/4.