(Last updated June 2026)
Figure . The molecular diagram of Methanol.
| REFCODE | METHOL |
|---|---|
| Formula | C1 H4 O1 |
| Common Name | Methanol |
| IUPAC Systematic Name | Methanol |
| Other Names | |
| CSD Refcodes | METHOL, METHOL02, METHOL05, METHOL03, METHOL06 |
| Search Identifier | A |
| Scientist | Not sure |
| Date | 2013 |
| Publication | No publication planned. |
| Energy model | 1 |
| Study_ID | 10 |
| Programs | CrystalPredictor, CrystalOptimizar, DMACRYS (2.0.8RC1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\Methanol |
| Potential Description | CrystalOptimizer PBE1PBE/6-31G(d,p) intramolecular + GDMA2.2(PBE1PBE/6-31G(d,p)) DMA + FIT |
| Intramolecular Description | PBE1PBE 6-31G(d,p) |
Figure . Crystal energy landscape of Methanol from previous work.
Table . Crystallographic information for CSD entries for Methanol. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| METHOL | Cmcm | 0.25 | 6.43 | 7.24 | 4.67 | 90.0 | 90.0 | 90.0 | 0.9789 | Cmcm polymorph |
| METHOL01 | Unknown | 0.0 | 4.44 | 4.44 | 7.25 | 90.0 | 90.0 | 120.0 | None | gamma polymorph |
| METHOL02 | P212121 | 1.0 | 4.8728 | 4.6411 | 8.8671 | 90.0 | 90.0 | 90.0 | 1.0613 | alpha P212121 polymorph |
| METHOL03 | P-1 | 3.0 | 7.67 | 4.4101 | 7.199 | 88.10 | 102.89 | 93.85 | 1.3481 | high pressure gamma polymorph |
| METHOL04 | P212121 | 1.0 | 4.64690 | 4.92850 | 9.0403 | 90.0 | 90.0 | 90.0 | 1.0279 | alpha P212121 polymorph |
| METHOL05 | Cmc21 | 0.5 | 6.401 | 7.22 | 4.647 | 90.0 | 90.0 | 90.0 | 0.9442 | beta polymorph |
| METHOL06 | P21/c | 3.0 | 4.3989 | 11.8090 | 10.981 | 90.0 | 126.69 | 90.0 | 1.3958 | high pressure epsilon polymorph |
Table . Experimental information for CSD entries for Methanol.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| METHOL | Cmcm | None | 163 K | 1952 | 10.1107/S0365110X52001696 |
| METHOL01 | Unknown | None | None | 1952 | None |
| METHOL02 | P212121 | 3.9 | at 15 K | 1989 | None |
| METHOL03 | P-1 | 12.0 | None | 1998 | 10.1103/PhysRevB.58.R11809 |
| METHOL04 | P212121 | 3.38 | at 122 K | 2008 | 10.1021/cg0701877 |
| METHOL05 | Cmc21 | 3.7 | at 160 K | 2008 | 10.1021/cg0701877 |
| METHOL06 | P21/c | 8.58 | 293 K | 2022 | 10.1039/D2CE01157C |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.