| Literature DB >> 21200483 |
Naser Eltaher Eltayeb, Siang Guan Teoh, Suchada Chantrapromma, Hoong-Kun Fun, Rohana Adnan.
Abstract
In the title complex, [Mn(C(20)H(12)Cl(2)N(2)O(2))Cl(CH(3)OH)], the Mn(III) atom is in an octa-hedral coordination geometry with the N(2)O(2) atoms of the doubly-deprotonated Schiff base forming a square around it. The chloride ion and the O atom of the methanol mol-ecule occupy the other two positions of the octa-hedron. The dihedral angle between the two outer phenolate rings of the tetra-dentate ligand is 20.27 (12)°. The central phenyl-ene ring makes dihedral angles of 18.62 (12) and 6.02 (12)° with the two outer phenolate rings. Hydrogen bonds of the O-H⋯Cl type link the mol-ecules into an infinite chain along [010]. These chains are arranged into sheets parallel to the ab plane and these sheets are connected by weak C-H⋯Cl inter-actions into a three-dimensional network. The crystal structure is further stabilized by C-H⋯π inter-actions.Entities:
Year: 2007 PMID: 21200483 PMCID: PMC2915075 DOI: 10.1107/S1600536807064240
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Mn(C20H12N2O2Cl2)Cl(CH4O)] | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 5384 reflections |
| θ = 1.5–29.0º | |
| µ = 1.07 mm−1 | |
| β = 124.672 (2)º | Needle, brown |
| 0.56 × 0.09 × 0.04 mm | |
| Bruker SMART APEX2 CCD area-detector diffractometer | 5384 independent reflections |
| Radiation source: medium-focus sealed tube | 4153 reflections with |
| Monochromator: graphite | |
| Detector resolution: 8.33 pixels mm-1 | θmax = 29.0º |
| θmin = 1.6º | |
| ω scans | |
| Absorption correction: multi-scan(SADABS; Bruker, 2005) | |
| 22773 measured reflections |
| Refinement on | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
| H-atom parameters constrained | |
| | |
| (Δ/σ)max = 0.002 | |
| 5384 reflections | Δρmax = 1.55 e Å−3 |
| 272 parameters | Δρmin = −0.47 e Å−3 |
| Primary atom site location: structure-invariant direct methods | Extinction correction: none |
| Experimental. The low-temparture data was collected with the Oxford Cyrosystem Cobra low-temperature attachment. |
| 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 |
| Mn1 | 0.38124 (2) | 0.58871 (6) | 0.592785 (16) | 0.01538 (10) | |
| Cl1 | 0.34939 (4) | 0.25637 (10) | 0.52850 (3) | 0.01860 (13) | |
| Cl2 | −0.09275 (5) | 0.72592 (12) | 0.56471 (3) | 0.02870 (16) | |
| Cl3 | 0.92504 (4) | 0.60705 (12) | 0.74512 (3) | 0.02954 (17) | |
| O1 | 0.31347 (12) | 0.5137 (3) | 0.63441 (8) | 0.0189 (4) | |
| O2 | 0.50867 (12) | 0.5203 (3) | 0.67240 (8) | 0.0189 (4) | |
| O3 | 0.39833 (13) | 0.9150 (3) | 0.63460 (8) | 0.0220 (4) | |
| H1O3 | 0.3759 | 0.9889 | 0.6041 | 0.026* | |
| N1 | 0.25509 (14) | 0.7054 (3) | 0.51017 (9) | 0.0158 (4) | |
| N2 | 0.44238 (14) | 0.6915 (3) | 0.54358 (9) | 0.0150 (4) | |
| C1 | 0.22094 (17) | 0.5628 (4) | 0.61572 (12) | 0.0184 (5) | |
| C2 | 0.18875 (18) | 0.4945 (4) | 0.65745 (12) | 0.0220 (5) | |
| H2A | 0.2325 | 0.4155 | 0.6963 | 0.026* | |
| C3 | 0.09306 (19) | 0.5431 (4) | 0.64153 (12) | 0.0231 (6) | |
| H3A | 0.0728 | 0.4952 | 0.6694 | 0.028* | |
| C4 | 0.02714 (17) | 0.6633 (4) | 0.58403 (12) | 0.0214 (5) | |
| C5 | 0.05423 (18) | 0.7289 (4) | 0.54092 (12) | 0.0210 (5) | |
| H5A | 0.0088 | 0.8059 | 0.5019 | 0.025* | |
| C6 | 0.15150 (17) | 0.6792 (4) | 0.55588 (12) | 0.0183 (5) | |
| C7 | 0.17185 (17) | 0.7418 (4) | 0.50609 (11) | 0.0183 (5) | |
| H7A | 0.1211 | 0.8146 | 0.4677 | 0.022* | |
| C8 | 0.26702 (17) | 0.7624 (4) | 0.45641 (11) | 0.0152 (5) | |
| C9 | 0.18680 (17) | 0.8169 (4) | 0.38927 (11) | 0.0189 (5) | |
| H9A | 0.1200 | 0.8163 | 0.3769 | 0.023* | |
| C10 | 0.20691 (18) | 0.8716 (4) | 0.34132 (11) | 0.0198 (5) | |
| H10A | 0.1535 | 0.9084 | 0.2965 | 0.024* | |
| C11 | 0.30626 (18) | 0.8721 (4) | 0.35933 (12) | 0.0198 (5) | |
| H11A | 0.3189 | 0.9102 | 0.3265 | 0.024* | |
| C12 | 0.38699 (17) | 0.8165 (4) | 0.42562 (11) | 0.0173 (5) | |
| H12A | 0.4535 | 0.8174 | 0.4375 | 0.021* | |
| C13 | 0.36721 (16) | 0.7592 (4) | 0.47441 (11) | 0.0148 (4) | |
| C14 | 0.53947 (17) | 0.6908 (4) | 0.56893 (11) | 0.0163 (5) | |
| H14A | 0.5587 | 0.7369 | 0.5403 | 0.020* | |
| C15 | 0.61905 (16) | 0.6240 (4) | 0.63775 (11) | 0.0159 (5) | |
| C16 | 0.72077 (17) | 0.6399 (4) | 0.65662 (12) | 0.0189 (5) | |
| H16A | 0.7333 | 0.6881 | 0.6247 | 0.023* | |
| C17 | 0.80005 (17) | 0.5842 (4) | 0.72182 (12) | 0.0211 (5) | |
| C18 | 0.78387 (18) | 0.5105 (4) | 0.77090 (12) | 0.0227 (5) | |
| H18A | 0.8391 | 0.4758 | 0.8154 | 0.027* | |
| C19 | 0.68541 (18) | 0.4893 (4) | 0.75304 (11) | 0.0210 (5) | |
| H19A | 0.6748 | 0.4376 | 0.7855 | 0.025* | |
| C20 | 0.60042 (17) | 0.5451 (4) | 0.68617 (11) | 0.0165 (5) | |
| C21 | 0.4985 (2) | 0.9955 (5) | 0.69176 (13) | 0.0304 (6) | |
| H21A | 0.4901 | 1.1303 | 0.7027 | 0.046* | |
| H21B | 0.5444 | 0.9968 | 0.6775 | 0.046* | |
| H21C | 0.5261 | 0.9116 | 0.7322 | 0.046* |
| Mn1 | 0.01368 (16) | 0.0184 (2) | 0.01457 (16) | 0.00078 (15) | 0.00836 (13) | 0.00217 (15) |
| Cl1 | 0.0184 (3) | 0.0183 (3) | 0.0200 (2) | −0.0003 (2) | 0.0115 (2) | 0.0002 (2) |
| Cl2 | 0.0230 (3) | 0.0326 (4) | 0.0394 (3) | −0.0020 (3) | 0.0231 (3) | −0.0054 (3) |
| Cl3 | 0.0130 (3) | 0.0404 (4) | 0.0285 (3) | 0.0003 (3) | 0.0078 (2) | −0.0028 (3) |
| O1 | 0.0176 (7) | 0.0222 (10) | 0.0184 (7) | 0.0017 (8) | 0.0112 (6) | 0.0044 (7) |
| O2 | 0.0162 (7) | 0.0230 (10) | 0.0164 (7) | 0.0010 (8) | 0.0087 (6) | 0.0033 (7) |
| O3 | 0.0265 (9) | 0.0200 (10) | 0.0194 (7) | 0.0006 (8) | 0.0130 (7) | 0.0015 (7) |
| N1 | 0.0153 (8) | 0.0171 (11) | 0.0151 (8) | 0.0004 (8) | 0.0086 (7) | 0.0011 (8) |
| N2 | 0.0145 (8) | 0.0158 (11) | 0.0153 (8) | 0.0012 (8) | 0.0088 (7) | 0.0006 (8) |
| C1 | 0.0179 (10) | 0.0187 (14) | 0.0201 (10) | −0.0025 (10) | 0.0116 (9) | −0.0034 (10) |
| C2 | 0.0247 (12) | 0.0209 (14) | 0.0224 (11) | −0.0028 (11) | 0.0146 (10) | −0.0015 (11) |
| C3 | 0.0263 (12) | 0.0258 (15) | 0.0248 (11) | −0.0079 (12) | 0.0191 (10) | −0.0060 (11) |
| C4 | 0.0175 (11) | 0.0230 (14) | 0.0273 (11) | −0.0049 (11) | 0.0149 (10) | −0.0085 (11) |
| C5 | 0.0172 (10) | 0.0220 (14) | 0.0246 (11) | −0.0017 (11) | 0.0124 (9) | −0.0024 (11) |
| C6 | 0.0168 (10) | 0.0193 (13) | 0.0202 (10) | −0.0011 (10) | 0.0114 (9) | −0.0005 (10) |
| C7 | 0.0158 (10) | 0.0214 (14) | 0.0165 (9) | 0.0013 (10) | 0.0085 (8) | 0.0019 (10) |
| C8 | 0.0173 (10) | 0.0143 (12) | 0.0162 (9) | −0.0007 (10) | 0.0110 (8) | −0.0002 (9) |
| C9 | 0.0133 (10) | 0.0237 (14) | 0.0158 (10) | 0.0010 (10) | 0.0061 (8) | 0.0005 (10) |
| C10 | 0.0195 (11) | 0.0204 (14) | 0.0153 (10) | 0.0007 (11) | 0.0073 (9) | 0.0031 (10) |
| C11 | 0.0251 (12) | 0.0180 (13) | 0.0185 (10) | 0.0021 (11) | 0.0136 (9) | 0.0018 (10) |
| C12 | 0.0161 (10) | 0.0180 (13) | 0.0182 (10) | −0.0008 (10) | 0.0100 (9) | −0.0023 (10) |
| C13 | 0.0170 (10) | 0.0118 (12) | 0.0148 (9) | 0.0001 (10) | 0.0085 (8) | −0.0014 (9) |
| C14 | 0.0189 (10) | 0.0145 (13) | 0.0166 (9) | −0.0002 (10) | 0.0108 (9) | −0.0014 (9) |
| C15 | 0.0158 (10) | 0.0128 (12) | 0.0182 (10) | 0.0019 (10) | 0.0092 (9) | 0.0002 (9) |
| C16 | 0.0181 (11) | 0.0165 (13) | 0.0214 (10) | 0.0002 (10) | 0.0109 (9) | −0.0022 (10) |
| C17 | 0.0141 (10) | 0.0203 (14) | 0.0244 (11) | 0.0008 (10) | 0.0082 (9) | −0.0028 (11) |
| C18 | 0.0173 (11) | 0.0222 (15) | 0.0189 (10) | 0.0042 (11) | 0.0044 (9) | 0.0007 (11) |
| C19 | 0.0214 (11) | 0.0218 (14) | 0.0174 (10) | 0.0008 (11) | 0.0096 (9) | 0.0017 (10) |
| C20 | 0.0166 (10) | 0.0127 (12) | 0.0174 (10) | 0.0015 (10) | 0.0079 (8) | −0.0009 (9) |
| C21 | 0.0342 (14) | 0.0317 (17) | 0.0294 (13) | −0.0008 (14) | 0.0206 (12) | −0.0032 (13) |
| Mn1—O2 | 1.8668 (16) | C7—H7A | 0.9300 |
| Mn1—O1 | 1.8834 (15) | C8—C9 | 1.393 (3) |
| Mn1—N1 | 1.9860 (19) | C8—C13 | 1.399 (3) |
| Mn1—N2 | 2.0005 (18) | C9—C10 | 1.376 (3) |
| Mn1—O3 | 2.3247 (19) | C9—H9A | 0.9300 |
| Mn1—Cl1 | 2.5493 (7) | C10—C11 | 1.386 (3) |
| Cl2—C4 | 1.743 (2) | C10—H10A | 0.9301 |
| Cl3—C17 | 1.745 (2) | C11—C12 | 1.385 (3) |
| O1—C1 | 1.317 (3) | C11—H11A | 0.9299 |
| O2—C20 | 1.315 (3) | C12—C13 | 1.396 (3) |
| O3—C21 | 1.479 (3) | C12—H12A | 0.9300 |
| O3—H1O3 | 0.7642 | C14—C15 | 1.437 (3) |
| N1—C7 | 1.296 (3) | C14—H14A | 0.9302 |
| N1—C8 | 1.423 (3) | C15—C16 | 1.420 (3) |
| N2—C14 | 1.303 (3) | C15—C20 | 1.421 (3) |
| N2—C13 | 1.429 (3) | C16—C17 | 1.364 (3) |
| C1—C2 | 1.408 (3) | C16—H16A | 0.9300 |
| C1—C6 | 1.419 (3) | C17—C18 | 1.398 (3) |
| C2—C3 | 1.385 (3) | C18—C19 | 1.381 (3) |
| C2—H2A | 0.9298 | C18—H18A | 0.9300 |
| C3—C4 | 1.391 (4) | C19—C20 | 1.414 (3) |
| C3—H3A | 0.9300 | C19—H19A | 0.9298 |
| C4—C5 | 1.372 (3) | C21—H21A | 0.9600 |
| C5—C6 | 1.419 (3) | C21—H21B | 0.9600 |
| C5—H5A | 0.9300 | C21—H21C | 0.9600 |
| C6—C7 | 1.434 (3) | ||
| O2—Mn1—O1 | 92.25 (7) | C6—C7—H7A | 117.3 |
| O2—Mn1—N1 | 170.80 (9) | C9—C8—C13 | 120.02 (19) |
| O1—Mn1—N1 | 92.54 (7) | C9—C8—N1 | 124.35 (19) |
| O2—Mn1—N2 | 92.65 (7) | C13—C8—N1 | 115.63 (19) |
| O1—Mn1—N2 | 173.99 (8) | C10—C9—C8 | 119.7 (2) |
| N1—Mn1—N2 | 82.14 (8) | C10—C9—H9A | 120.2 |
| O2—Mn1—O3 | 90.40 (7) | C8—C9—H9A | 120.2 |
| O1—Mn1—O3 | 89.64 (7) | C9—C10—C11 | 120.5 (2) |
| N1—Mn1—O3 | 81.79 (8) | C9—C10—H10A | 119.8 |
| N2—Mn1—O3 | 86.84 (7) | C11—C10—H10A | 119.8 |
| O2—Mn1—Cl1 | 96.63 (6) | C12—C11—C10 | 120.8 (2) |
| O1—Mn1—Cl1 | 95.44 (6) | C12—C11—H11A | 119.6 |
| N1—Mn1—Cl1 | 90.72 (6) | C10—C11—H11A | 119.6 |
| N2—Mn1—Cl1 | 87.45 (6) | C11—C12—C13 | 119.2 (2) |
| O3—Mn1—Cl1 | 171.14 (4) | C11—C12—H12A | 120.4 |
| C1—O1—Mn1 | 128.67 (15) | C13—C12—H12A | 120.4 |
| C20—O2—Mn1 | 129.77 (14) | C12—C13—C8 | 119.9 (2) |
| C21—O3—Mn1 | 121.53 (16) | C12—C13—N2 | 125.09 (19) |
| C21—O3—H1O3 | 107.5 | C8—C13—N2 | 115.00 (18) |
| Mn1—O3—H1O3 | 109.0 | N2—C14—C15 | 124.9 (2) |
| C7—N1—C8 | 121.98 (19) | N2—C14—H14A | 117.5 |
| C7—N1—Mn1 | 124.80 (15) | C15—C14—H14A | 117.6 |
| C8—N1—Mn1 | 113.03 (14) | C16—C15—C20 | 119.9 (2) |
| C14—N2—C13 | 121.91 (18) | C16—C15—C14 | 116.6 (2) |
| C14—N2—Mn1 | 125.22 (15) | C20—C15—C14 | 123.5 (2) |
| C13—N2—Mn1 | 112.80 (13) | C17—C16—C15 | 119.6 (2) |
| O1—C1—C2 | 118.0 (2) | C17—C16—H16A | 120.2 |
| O1—C1—C6 | 124.0 (2) | C15—C16—H16A | 120.2 |
| C2—C1—C6 | 118.0 (2) | C16—C17—C18 | 121.6 (2) |
| C3—C2—C1 | 121.1 (2) | C16—C17—Cl3 | 119.44 (19) |
| C3—C2—H2A | 119.4 | C18—C17—Cl3 | 118.94 (18) |
| C1—C2—H2A | 119.4 | C19—C18—C17 | 119.7 (2) |
| C2—C3—C4 | 120.2 (2) | C19—C18—H18A | 120.2 |
| C2—C3—H3A | 119.9 | C17—C18—H18A | 120.2 |
| C4—C3—H3A | 119.9 | C18—C19—C20 | 121.0 (2) |
| C5—C4—C3 | 120.7 (2) | C18—C19—H19A | 119.5 |
| C5—C4—Cl2 | 119.3 (2) | C20—C19—H19A | 119.5 |
| C3—C4—Cl2 | 120.00 (18) | O2—C20—C19 | 118.0 (2) |
| C4—C5—C6 | 120.0 (2) | O2—C20—C15 | 123.8 (2) |
| C4—C5—H5A | 120.0 | C19—C20—C15 | 118.2 (2) |
| C6—C5—H5A | 120.0 | O3—C21—H21A | 109.5 |
| C5—C6—C1 | 119.9 (2) | O3—C21—H21B | 109.5 |
| C5—C6—C7 | 116.8 (2) | H21A—C21—H21B | 109.5 |
| C1—C6—C7 | 123.1 (2) | O3—C21—H21C | 109.5 |
| N1—C7—C6 | 125.4 (2) | H21A—C21—H21C | 109.5 |
| N1—C7—H7A | 117.3 | H21B—C21—H21C | 109.5 |
| O2—Mn1—O1—C1 | 162.1 (2) | C8—N1—C7—C6 | 176.2 (2) |
| N1—Mn1—O1—C1 | −10.1 (2) | Mn1—N1—C7—C6 | −9.2 (4) |
| O3—Mn1—O1—C1 | 71.7 (2) | C5—C6—C7—N1 | −178.1 (2) |
| Cl1—Mn1—O1—C1 | −101.0 (2) | C1—C6—C7—N1 | −1.8 (4) |
| O1—Mn1—O2—C20 | −174.3 (2) | C7—N1—C8—C9 | −15.6 (4) |
| N2—Mn1—O2—C20 | 2.2 (2) | Mn1—N1—C8—C9 | 169.1 (2) |
| O3—Mn1—O2—C20 | −84.6 (2) | C7—N1—C8—C13 | 165.0 (2) |
| Cl1—Mn1—O2—C20 | 89.9 (2) | Mn1—N1—C8—C13 | −10.2 (3) |
| O2—Mn1—O3—C21 | 16.48 (16) | C13—C8—C9—C10 | −1.4 (4) |
| O1—Mn1—O3—C21 | 108.72 (16) | N1—C8—C9—C10 | 179.3 (2) |
| N1—Mn1—O3—C21 | −158.66 (16) | C8—C9—C10—C11 | 0.2 (4) |
| N2—Mn1—O3—C21 | −76.15 (16) | C9—C10—C11—C12 | 0.4 (4) |
| O1—Mn1—N1—C7 | 12.8 (2) | C10—C11—C12—C13 | 0.1 (4) |
| N2—Mn1—N1—C7 | −164.4 (2) | C11—C12—C13—C8 | −1.3 (4) |
| O3—Mn1—N1—C7 | −76.5 (2) | C11—C12—C13—N2 | 177.6 (2) |
| Cl1—Mn1—N1—C7 | 108.3 (2) | C9—C8—C13—C12 | 1.9 (4) |
| O1—Mn1—N1—C8 | −172.10 (17) | N1—C8—C13—C12 | −178.7 (2) |
| N2—Mn1—N1—C8 | 10.70 (17) | C9—C8—C13—N2 | −177.1 (2) |
| O3—Mn1—N1—C8 | 98.63 (17) | N1—C8—C13—N2 | 2.3 (3) |
| Cl1—Mn1—N1—C8 | −76.62 (16) | C14—N2—C13—C12 | 4.8 (4) |
| O2—Mn1—N2—C14 | 1.1 (2) | Mn1—N2—C13—C12 | −172.3 (2) |
| N1—Mn1—N2—C14 | 173.5 (2) | C14—N2—C13—C8 | −176.3 (2) |
| O3—Mn1—N2—C14 | 91.4 (2) | Mn1—N2—C13—C8 | 6.6 (3) |
| Cl1—Mn1—N2—C14 | −95.4 (2) | C13—N2—C14—C15 | −179.7 (2) |
| O2—Mn1—N2—C13 | 178.13 (16) | Mn1—N2—C14—C15 | −2.9 (4) |
| N1—Mn1—N2—C13 | −9.49 (16) | N2—C14—C15—C16 | −178.3 (2) |
| O3—Mn1—N2—C13 | −91.62 (16) | N2—C14—C15—C20 | 1.7 (4) |
| Cl1—Mn1—N2—C13 | 81.60 (16) | C20—C15—C16—C17 | −1.8 (4) |
| Mn1—O1—C1—C2 | −177.18 (18) | C14—C15—C16—C17 | 178.3 (2) |
| Mn1—O1—C1—C6 | 3.2 (4) | C15—C16—C17—C18 | 0.3 (4) |
| O1—C1—C2—C3 | 179.0 (2) | C15—C16—C17—Cl3 | −179.2 (2) |
| C6—C1—C2—C3 | −1.4 (4) | C16—C17—C18—C19 | 1.2 (4) |
| C1—C2—C3—C4 | −0.8 (4) | Cl3—C17—C18—C19 | −179.3 (2) |
| C2—C3—C4—C5 | 2.5 (4) | C17—C18—C19—C20 | −1.3 (4) |
| C2—C3—C4—Cl2 | −179.4 (2) | Mn1—O2—C20—C19 | 176.37 (18) |
| C3—C4—C5—C6 | −1.9 (4) | Mn1—O2—C20—C15 | −3.8 (4) |
| Cl2—C4—C5—C6 | 180.0 (2) | C18—C19—C20—O2 | 179.7 (2) |
| C4—C5—C6—C1 | −0.4 (4) | C18—C19—C20—C15 | −0.1 (4) |
| C4—C5—C6—C7 | 176.1 (2) | C16—C15—C20—O2 | −178.2 (2) |
| O1—C1—C6—C5 | −178.4 (2) | C14—C15—C20—O2 | 1.8 (4) |
| C2—C1—C6—C5 | 2.0 (4) | C16—C15—C20—C19 | 1.7 (4) |
| O1—C1—C6—C7 | 5.4 (4) | C14—C15—C20—C19 | −178.4 (2) |
| C2—C1—C6—C7 | −174.2 (2) |
| H··· | ||||
| O3—H1O3···Cl1i | 0.76 | 2.36 | 3.1093 (19) | 165 |
| C12—H12A···Cl1ii | 0.93 | 2.81 | 3.725 (3) | 170 |
| C14—H14A···Cl1ii | 0.93 | 2.72 | 3.606 (3) | 159 |
| C2—H2A···Cg3iii | 0.93 | 3.02 | 3.890 (3) | 158 |
| C16—H16A···Cg2iv | 0.93 | 3.35 | 3.880 (3) | 119 |
| C18—H18A···Cg1iii | 0.93 | 2.96 | 3.640 (3) | 131 |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| O3—H1 | 0.76 | 2.36 | 3.1093 (19) | 165 |
| C12—H12 | 0.93 | 2.81 | 3.725 (3) | 170 |
| C14—H14 | 0.93 | 2.72 | 3.606 (3) | 159 |
| C2—H2 | 0.93 | 3.02 | 3.890 (3) | 158 |
| C16—H16 | 0.93 | 3.35 | 3.880 (3) | 119 |
| C18—H18 | 0.93 | 2.96 | 3.640 (3) | 131 |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) . Cg1, Cg2 and Cg3 are the centroids of the C1–C6, C8–C13 and C15–C20 benzene rings, respectively.