(Last updated April 2026)
Figure . The molecular diagram of Cytosine.
| REFCODE | CYTSIN |
|---|---|
| Formula | C4 H5 N3 O1 |
| Common Name | Cytosine |
| IUPAC Systematic Name | 4-amino-3,4-dihydro-1H-pyrimidin-2-one |
| Other Names | 4-amino-2-hydroxypyrimidine |
| CSD Refcodes | CYTSIN02, CYTSIN03 |
| Search Identifier | A |
| Scientist | Tom Lewis |
| Date | 2005 |
| Publication | No publication planned. |
| Energy model | 1 |
| Study_ID | 0 |
| Programs | MOLPAK, DMAREL (4.1.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\cytosine |
| Potential Description | MP2 6-31G(d,p) DMA + 25% reduced Carbon repulsion FIT |
| Intramolecular Description | none |
Figure . Crystal energy landscape of Cytosine from previous work.
Table . Crystallographic information for CSD entries for Cytosine. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| CYTSIN | P212121 | 1.0 | 13.041 | 9.494 | 3.815 | 90.0 | 90.0 | 90.0 | 1.5623 | P212121 Ia polymorph |
| CYTSIN01 | P212121 | 1.0 | 13.044 | 9.496 | 3.814 | 90.0 | 90.0 | 90.0 | 1.5620 | P212121 Ia polymorph |
| CYTSIN02 | Pccn | 2.0 | 15.1040 | 15.1212 | 9.2948 | 90.0 | 90.0 | 90.0 | 1.3905 | Pccn Ib polymorph |
| CYTSIN03 | P212121 | 1.0 | 13.0339 | 9.49302 | 3.81349 | 90.0 | 90.0 | 90.0 | 1.5639 | P212121 Ia polymorph |
Table . Experimental information for CSD entries for Cytosine.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| CYTSIN | P212121 | 7.0 | None | 1964 | 10.1107/S0365110X64003899 |
| CYTSIN01 | P212121 | 3.1 | None | 1973 | 10.1107/S0567740873004292 |
| CYTSIN02 | Pccn | 5.149 | 294 K | 2015 | 10.1107/S2053229615000492 |
| CYTSIN03 | P212121 | 0.647 | 293 K | 2023 | 10.1002/hlca.202200087 |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.