1,1'-Oxybis(4-nitrobenzene) (CAS 101-63-3): engraved ball-and-stick 3D molecular model (STL)
Abstract
This entry presents 1,1'-Oxybis(4-nitrobenzene) (C12H8N2O5; CAS 101-63-3; PubChem CID 7568) as a 3D-printable ball-and-stick model in which every atom carries its engraved element symbol (C, H, N, O), so the model can be read without a colour key. Atomic coordinates come from the PubChem-computed 3D conformer (not an experimental crystal structure); coordinates and connectivity are unchanged. Structure at a glance 27 atoms: 12 C, 8 H, 2 N, 5 O 28 bonds: 14 single, 2 double, 12 aromatic Two 6-membered rings, both aromatic Functional groups: two nitro groups (-NO2) and one ether linkage (C-O-C) No hydrogen-bond donors and five acceptors (computed) No carbon atom is sp3-hybridised Use in teaching Counting task: students tally the engraved symbols (12 C, 8 H, 2 N, 5 O; 27 atoms) and rebuild the formula C12H8N2O5 from the model alone. Aromaticity: identify the two aromatic rings and the 12 bonds recorded as aromatic; the model draws them as one Kekulé structure (alternating single and double bonds), while in the real molecule they are delocalised, intermediate between single and double. Functional groups: find the two nitro groups (-NO2) and the ether linkage (C-O-C) on the model and name each one. File and printing STL mesh of 390,444 triangles, a closed (watertight) single solid. Coordinates are in ångström and STL stores no unit, so scale the model deliberately in your slicer. Measured bounding box: 8.973 × 9.463 × 5.677 Å; at scale factor 10 (1 Å to 10 mm, file read in millimetres) the print measures about 89.7 × 94.6 × 56.8 mm. SHA-256: e8fce940777be802789f4c6a4925e18c935aba0df9ae0127351ad435d1d737b0. Validation InChIKey identical to the PubChem record (PubChem FTP SDF, file dated 2026-10-08): MWAGUKZCDDRDCS-UHFFFAOYSA-N Molecular formula and hydrogen-bond donor/acceptor counts identical to PubChem Mesh: triangle count in the header equals the actual count; 0 edges not shared by exactly two triangles; 1 connected solid; SHA-256 equal to the published file Source, licence and identifiers Full record: molgod.org/molecule/101-63-3 · Licence and provenance record: molgod.org/licenses/stl/101-63-3 · Same file on Wikimedia Commons: File:1,1'-Oxybis(4-nitrobenzene)-3D-molecular-model-engraved-CAS-101-63-3.stl MolGod ID: MG_273-288-811-72 Wikidata: Q27289802 EC number: 202-961-3 ChemSpider ID: 7287 IUPAC name: 1-nitro-4-(4-nitrophenoxy)benzene InChIKey: MWAGUKZCDDRDCS-UHFFFAOYSA-N SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-] Molar mass 260.20 g/mol (exact mass 260.04332136) Licence: CC BY-SA 4.0 (licence text). Required attribution: "1,1'-Oxybis(4-nitrobenzene) 3D model by MolGod.org — https://molgod.org/molecule/101-63-3/ — CC BY-SA 4.0".
