 | Acta Crystallographica Section E Acta Crystallographica Section E CRYSTALLOGRAPHIC COMMUNICATIONS |
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![[Figure 1]](su5354fig1mag.jpg)
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Figure 1
(a) Schematic drawing of two analogues of (I) ![[link]](../../../../../../logos/arrows/e_arr.gif) in the Cambridge Structural Database (CSD, Version 5.37; Groom et al., 2016) identified by their six-letter reference codes. (b) Number of entries in the CSD retrieved by using various search fragments. The raw quinolin-4(1H)-one skeleton (with potential substituents on all C and N atoms) yields 759 hits (including a small number of duplicates). Three types of specifications and combinations thereof are then explored: introduction of bonds to O atoms (–OH, alkoxy or phenoxy) from C6 and C7, N1-substitution (blue, subset aromatic ring), and including only acyclic bonds from C2 and C3 atoms (red, X = any atom type, subset H only). Green and violet colours indicate the two molecules in (a). (c) Final CSD search fragment used in the conformational analysis. Dashed bonds have bond type `any', Q is N or C, Z is `not hydrogen', while T3 means the atom has three bonded atoms. The indicated torsion angle runs between the encircled atoms through the two ring centroids. |
![[Figure 1]](su5354fig1.jpg)
| CRYSTALLOGRAPHIC COMMUNICATIONS |
ISSN: 2056-9890
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