(Last updated May 2026)
Figure . The molecular diagram of Naphthalene.
| REFCODE | NAPHTA |
|---|---|
| Formula | C8 H10 |
| Common Name | Naphthalene |
| IUPAC Systematic Name | Naphthalene |
| Other Names | |
| CSD Refcodes | NAPHTA32 |
| Search Identifier | A |
| Scientist | Not sure |
| Date | pre-2010 |
| 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\\Naphthalene1 |
| Potential Description | MP2 6-31G(d,p) DMA + fit.pots |
| Intramolecular Description | MP2 6-31G(d,p) |
| Search Identifier | B |
| Scientist | Not sure |
| Date | pre-2010 |
| Publication | No publication planned. |
| Energy model | 1 |
| Study_ID | 1 |
| Programs | MOLPAK, DMAREL (4.1.1) |
| Location on S Drive | \\CHEMISTRY_CPOSS\\0-EarlySearches\\home\\louise_price.eminerals\\Naphthalene2 |
| Potential Description | Old Williams charge 0.153e on C-H + fit.pots |
| Intramolecular Description | MP2 6-31G(d,p) |
Figure . Crystal energy landscape of Naphthalene from previous work.
Table . Crystallographic information for CSD entries for Naphthalene. Different polymorphs are coloured differently.
| REFCODE | space group | Z’ | a / Å | b / Å | c / Å | α / ° | β / ° | γ / ° | density / g cm-3 | Form |
|---|---|---|---|---|---|---|---|---|---|---|
| NAPHTA | P21/a | 0.5 | 8.235 | 6.003 | 8.658 | 90.0 | 122.92000 | 90.0 | 1.1847 | None |
| NAPHTA04 | P21/a | 0.5 | 8.098 | 5.953 | 8.65200 | 90.0 | 124.39999 | 90.0 | 1.2368 | None |
| NAPHTA11 | P21/a | 0.5 | 8.235 | 6.003 | 8.658 | 90.0 | 122.92000 | 90.0 | 1.1847 | None |
| NAPHTA12 | P21/a | 0.5 | 8.01 | 5.884 | 8.536 | 90.0 | 123.45 | 90.0 | 1.2680 | None |
| NAPHTA15 | P21/c | 0.5 | 7.82480 | 5.9349 | 8.0997 | 90.0 | 114.441 | 90.0 | 1.2430 | None |
| NAPHTA16 | P21/c | 0.5 | 7.8612 | 5.9413 | 8.1224 | 90.0 | 114.528 | 90.0 | 1.2333 | None |
| NAPHTA17 | P21/c | 0.5 | 7.89260 | 5.94260 | 8.13830 | 90.0 | 114.764 | 90.0 | 1.2280 | None |
| NAPHTA18 | P21/c | 0.5 | 7.9435 | 5.9534 | 8.1645 | 90.0 | 114.998 | 90.0 | 1.2164 | None |
| NAPHTA19 | P21/a | 0.5 | 8.0348 | 5.8899 | 8.565 | 90.0 | 123.59 | 90.0 | 1.2606 | None |
| NAPHTA20 | P21/a | 0.5 | 7.99480 | 5.8726 | 8.542 | 90.0 | 123.677 | 90.0 | 1.2754 | None |
| NAPHTA21 | P21/a | 0.5 | 7.85230 | 5.8106 | 8.474 | 90.0 | 124.02700 | 90.0 | 1.3283 | None |
| NAPHTA22 | P21/a | 0.5 | 7.6778 | 5.721 | 8.395 | 90.0 | 124.54999 | 90.0 | 1.4015 | None |
| NAPHTA23 | P21/a | 0.5 | 8.0846 | 5.9375 | 8.6335 | 90.0 | 124.67300 | 90.0 | 1.2488 | None |
| NAPHTA24 | P21/a | 0.5 | 8.0847 | 5.93840 | 8.6343 | 90.0 | 124.64599 | 90.0 | 1.2481 | None |
| NAPHTA25 | P21/a | 0.5 | 8.09260 | 5.9404 | 8.6353 | 90.0 | 124.521 | 90.0 | 1.2445 | None |
| NAPHTA26 | P21/a | 0.5 | 8.1125 | 5.9398 | 8.64900 | 90.0 | 124.47200 | 90.0 | 1.2388 | None |
| NAPHTA27 | P21/a | 0.5 | 8.1275 | 5.94490 | 8.6595 | 90.0 | 124.345 | 90.0 | 1.2321 | None |
| NAPHTA28 | P21/a | 0.5 | 8.14510 | 5.9499 | 8.66490 | 90.0 | 124.18900 | 90.0 | 1.2254 | None |
| NAPHTA29 | P21/a | 0.5 | 8.1651 | 5.9547 | 8.6697 | 90.0 | 124.0 | 90.0 | 1.2180 | None |
| NAPHTA30 | P21/a | 0.5 | 8.1941 | 5.9599 | 8.6754 | 90.0 | 123.686 | 90.0 | 1.2074 | None |
| NAPHTA31 | P21/a | 0.5 | 8.08 | 5.933 | 8.632 | 90.0 | 124.65 | 90.0 | 1.2504 | None |
| NAPHTA32 | P21/a | 0.5 | 8.0815 | 5.93340 | 8.63440 | 90.0 | 124.62 | 90.0 | 1.2493 | None |
| NAPHTA33 | P21/a | 0.5 | 8.102 | 5.9404 | 8.646 | 90.0 | 124.463 | 90.0 | 1.2406 | None |
| NAPHTA34 | P21/a | 0.5 | 8.145 | 5.9542 | 8.659 | 90.0 | 124.08900 | 90.0 | 1.2239 | None |
| NAPHTA35 | P21/a | 0.5 | 8.194 | 5.968 | 8.669 | 90.0 | 123.57 | 90.0 | 1.2050 | None |
| NAPHTA36 | P21/a | 0.5 | 8.256 | 5.98300 | 8.677 | 90.0 | 122.72899 | 90.0 | 1.1805 | None |
| NAPHTA37 | P21 | 1.0 | 8.6869 | 6.01230 | 8.29380 | 90.0 | 122.59710 | 90.0 | 1.1664 | None |
| NAPHTA39 | P21/a | 0.5 | 7.44940 | 5.6208 | 8.2917 | 90.0 | 125.494 | 90.0 | 1.5058 | None |
| NAPHTA40 | P21/a | 0.5 | 7.5578 | 5.6554 | 8.3443 | 90.0 | 125.21200 | 90.0 | 1.4607 | None |
| NAPHTA41 | P21/a | 0.5 | 7.64720 | 5.684 | 8.38900 | 90.0 | 125.02800 | 90.0 | 1.4255 | None |
| NAPHTA42 | P21/a | 0.5 | 7.7152 | 5.70970 | 8.4166 | 90.0 | 124.816 | 90.0 | 1.3983 | None |
| NAPHTA43 | P21/a | 0.5 | 7.80310 | 5.75970 | 8.4596 | 90.0 | 124.507 | 90.0 | 1.3586 | None |
| NAPHTA44 | P21/a | 0.5 | 7.87130 | 5.788 | 8.4908 | 90.0 | 124.07600 | 90.0 | 1.3284 | None |
| NAPHTA45 | P21/a | 0.5 | 7.99170 | 5.85640 | 8.5502 | 90.0 | 123.777 | 90.0 | 1.2797 | None |
| NAPHTA46 | P21/a | 0.5 | 8.084 | 5.9051 | 8.5731 | 90.0 | 123.48400 | 90.0 | 1.2470 | None |
| NAPHTA47 | P21/a | 0.5 | 8.2592 | 5.98351 | 8.6755 | 90.0 | 122.65099 | 90.0 | 1.1791 | None |
| NAPHTA48 | P21/a | 0.5 | 7.3886 | 5.61450 | 8.2776 | 90.0 | 125.706 | 90.0 | 1.5265 | None |
| NAPHTA49 | P21/c | 0.5 | 7.873 | 5.965 | 8.15200 | 90.0 | 114.34 | 90.0 | 1.2203 | None |
| NAPHTA50 | P21/a | 0.5 | 8.1433 | 5.9512 | 8.6594 | 90.0 | 124.128 | 90.0 | 1.2253 | None |
| NAPHTA51 | P21/a | 0.5 | 8.1686 | 5.9617 | 8.6654 | 90.0 | 123.86 | 90.0 | 1.2147 | None |
| NAPHTA52 | P21/a | 0.5 | 8.2128 | 5.97270 | 8.6745 | 90.0 | 123.38800 | 90.0 | 1.1980 | None |
| NAPHTA53 | P21/a | 0.5 | 8.108 | 5.9397 | 8.6472 | 90.0 | 124.37900 | 90.0 | 1.2384 | None |
| NAPHTA54 | P21/a | 0.5 | 8.1224 | 5.94300 | 8.6525 | 90.0 | 124.322 | 90.0 | 1.2340 | None |
Table . Experimental information for CSD entries for Naphthalene.
| REFCODE | space group | R factor | T / K | Year | Comments |
|---|---|---|---|---|---|
| NAPHTA | P21/a | 16.8 | None | 1949 | 10.1107/S0365110X49000618 |
| NAPHTA04 | P21/a | 4.7 | 123 K | 1976 | None |
| NAPHTA11 | P21/a | None | None | 1957 | 10.1107/S0365110X57001826 |
| NAPHTA12 | P21/a | 3.1 | None | 1982 | 0.51 GPa, 10.1107/S056774088200942X |
| NAPHTA15 | P21/c | 1.77 | at 100.0 K | 2004 | 10.1021/jp036186g |
| NAPHTA16 | P21/c | 2.030 | at 135.0 K | 2004 | 10.1021/jp036186g |
| NAPHTA17 | P21/c | 2.87 | at 170.0 K | 2004 | 10.1021/jp036186g |
| NAPHTA18 | P21/c | 3.64 | at 205.0 K | 2004 | 10.1021/jp036186g |
| NAPHTA19 | P21/a | 7.07 | at 298 K | 2006 | 0.4 GPa, 10.1107/S0108768106026814 |
| NAPHTA20 | P21/a | 6.24 | at 298 K | 2006 | 0.6 GPa, 10.1107/S0108768106026814 |
| NAPHTA21 | P21/a | 9.63 | at 298 K | 2006 | 1.0 GPa, 10.1107/S0108768106026814 |
| NAPHTA22 | P21/a | 12.04 | at 298 K | 2006 | 2.1 GPa, 10.1107/S0108768106026814 |
| NAPHTA23 | P21/a | 4.0 | at 10 K | 2006 | synchrotron, 10.1021/jp062953a |
| NAPHTA24 | P21/a | 3.37 | at 30 K | 2006 | synchrotron, 10.1021/jp062953a |
| NAPHTA25 | P21/a | 3.73 | at 60 K | 2006 | synchrotron, 10.1021/jp062953a |
| NAPHTA26 | P21/a | 3.5 | at 90 K | 2006 | synchrotron, 10.1021/jp062953a |
| NAPHTA27 | P21/a | 4.01 | at 120 K | 2006 | synchrotron, 10.1021/jp062953a |
| NAPHTA28 | P21/a | 3.66 | at 150 K | 2006 | synchrotron, 10.1021/jp062953a |
| NAPHTA29 | P21/a | 4.05 | at 180 K | 2006 | synchrotron, 10.1021/jp062953a |
| NAPHTA30 | P21/a | 5.13 | at 220 K | 2006 | neutron, 10.1021/jp062953a |
| NAPHTA31 | P21/a | 2.34 | at 5 K | 2006 | neutron, 10.1021/jp062953a |
| NAPHTA32 | P21/a | 1.74 | at 30 K | 2006 | neutron, 10.1021/jp062953a |
| NAPHTA33 | P21/a | 3.2 | at 80 K | 2006 | neutron, 10.1021/jp062953a |
| NAPHTA34 | P21/a | 2.530 | at 150 K | 2006 | neutron, 10.1021/jp062953a |
| NAPHTA35 | P21/a | 2.52 | at 220 K | 2006 | neutron, 10.1021/jp062953a |
| NAPHTA36 | P21/a | 2.81 | at 295 K | 2006 | neutron, 10.1021/jp062953a |
| NAPHTA37 | P21 | 12.18 | at 298 K | 2007 | powder, 10.1021/cg0605943 |
| NAPHTA39 | P21/a | 0.54 | ? | 2014 | synchrotron, powder, 4.85 GPa, 10.1107/S1600576714005937 |
| NAPHTA40 | P21/a | 0.49 | ? | 2014 | synchrotron, powder, 3.7 GPa, 10.1107/S1600576714005937 |
| NAPHTA41 | P21/a | 0.48 | ? | 2014 | synchrotron, powder, 3.1 GPa, 10.1107/S1600576714005937 |
| NAPHTA42 | P21/a | 0.449 | ? | 2014 | synchrotron, powder, 2.65 GPa, 10.1107/S1600576714005937 |
| NAPHTA43 | P21/a | 0.470 | ? | 2014 | synchrotron, powder, 1.9 GPa, 10.1107/S1600576714005937 |
| NAPHTA44 | P21/a | 0.51 | ? | 2014 | synchrotron, powder, 1.31 GPa, 10.1107/S1600576714005937 |
| NAPHTA45 | P21/a | 0.6 | ? | 2014 | synchrotron, powder, 0.78 GPa, 10.1107/S1600576714005937 |
| NAPHTA46 | P21/a | 0.52 | ? | 2014 | synchrotron, powder, 0.41 GPa, 10.1107/S1600576714005937 |
| NAPHTA47 | P21/a | 0.410 | ? | 2014 | synchrotron, powder, 10.1107/S1600576714005937 |
| NAPHTA48 | P21/a | 0.48 | ? | 2014 | synchrotron, powder, 5.6 GPa, 10.1107/S1600576714005937 |
| NAPHTA49 | P21/c | 5.83 | 90 K | 2016 | 10.1002/chem.201602188 |
| NAPHTA50 | P21/a | 3.8 | 143 K | 1982 | 10.1107/S0567740882008358 |
| NAPHTA51 | P21/a | 3.8 | 184 K | 1982 | 10.1107/S0567740882008358 |
| NAPHTA52 | P21/a | 3.500 | 239 K | 1982 | 10.1107/S0567740882008358 |
| NAPHTA53 | P21/a | 3.8 | 92 K | 1982 | 10.1107/S0567740882008358 |
| NAPHTA54 | P21/a | 4.0 | 109 K | 1982 | 10.1107/S0567740882008358 |
Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.