Unformatted text preview: 6. Click the right-most carbon atom to draw 7. Repeat the above step to draw the following structures:
H3 C CH3 CH3 H3C CH3 CH3 H3 C CH3 H3C CH3 CH3 CH3 , , , 2.2.2 Double and Triple Bonds
Now we are going to draw double and triple bonds: 1. On the structure drawn, click the last bond to make it a double bond:
H3C CH2 CH3 2. Click there again to place a triple bond:
H3C CH CH3 3. Click the triple bond to make it a single bond again. 2.2.3 Deleting Atoms Individually
You can remove the superfluous atoms from the drawn structure: 1. On the General toolbar, click Delete . 2. With the Delete toll active, click the atom as shown on the picture: The structure now looks like this: 3. Now, click Undo to reverse the changes and holding down CTRL click Delete delete the same atom: to As you can see, the end-atom attached to the deleted one is now retained. ACD/ChemSketch Tutorial 6 Drawing Simple Structures 2.2.4 The Undo Command
Another important operation is how to “rescue” yourself from a change that, in retrospect, you wish you had not made. . This will cancel the last action performed and reset the workspace to exactly 1. Click Undo what it was before your last change.
Note As soon as Undo is executed, the Redo button (beside it) also becomes active. several times until you return to the following structure:
H3C CH3 2. Click Undo CH3 Note The Undo command can be repeated up to 50 times. When you begin to draw more complex structures or graphical objects, we recommend that you develop a habit of saving your work to a file after making several changes. 2.2.5 Polymers
ACD/ChemSketch allows you to draw polymeric structures: 1. On the Structure toolbar, click Polymers the settings as shown: to display the Polymer panel, and then change 2. Select the area to be turned into a polymer by clicking or by dragging. As soon as the area is selected, the polymer appears in the workspace:
H3C n CH3 CH3 3. Leave the Polymer Drawing mode by closing this panel. 2.2.6 Pseudo Atoms
To create open-ended polymers and bent bonds, follow the steps: 1. On the Atoms toolbar, click Pseudo Atom . ACD/ChemSketch Tutorial 7 Drawing Simple Structures 2. Click the end-atoms of the structure to replace them with empty atoms. You get an openended polymer: n CH3 2.2.7 Changing the Atom
To replace an atom with a new element whose button is not displayed on the Atoms toolbar, follow the steps: 1. Click Undo several times until you return to the following structure or draw it:
H3C CH3 CH3 2. On the Atoms toolbar, click Periodic Table to display the Periodic Table of Elements. 3. In the Periodic Table of Elements, click Fluorine now appears on the Atoms toolbar. , and then click OK. Note that Fluorine ACD/ChemSketch Tutorial 8 Drawing Simple Structures F CH3 4. Click the left-most carbon to replace it with a fluorine atom:
Note CH3 When you select new elements from the Periodic Table of Elements, the corresponding buttons are automatically added to the Atoms toolbar. To remove these buttons from the Atoms toolbar, double-click the Atoms toolbar and in the message box that appears, click Yes. This will remove all atom buttons except the default ones. 2.2.8 Using the Draw Continuous Tool
When the Draw Continuous tool is active, bonds can only be drawn from the highlighted atom. To highlight an atom, click it. This mode is very convenient for “sprouting” new atoms from a selected atom. 1. On the Structure toolbar, click Draw Continuous mouse button to switch to this drawing mode. 2. Make sure that the Fluorine button . Alternatively, you can press the right is pressed on the Atoms toolbar. 3. Click the right-most carbon in the drawn structure to select it. Click again to sprout fluorine from the selected carbon. Click twice on the same carbon again to sprout the second fluorine atom:
F F F CH3 2.2.9 Using Mouse Drag
or Draw Continuous With either drawing tool, Draw Normal , dragging from one atom to another draws a single bond between them. If you drag to or from an empty space, a new atom is inserted at the beginning or end of the drawn bond. With either the Draw Normal or Draw Continuous tool active, point to one of the terminal carbons and drag to another terminal carbon to draw the following structure:
F F F ACD/ChemSketch Tutorial 9 Drawing Simple Structures 2.2.10 “Cleaning” the Structure
To standardize all the bond lengths and angles in the drawn structure, follow the steps: 1. From the Options menu, choose Preferences, and on the Clean tab of the Preferences dialog box, select the Method 2 check box as shown in the picture: 2. On the Structure toolbar, click Clean Structure
F F : F The Clean command not only standardizes all bond lengths and angles to make the structure look nice—it makes the drawn structures closer to being chemically correct. For acyclic fragments, for example, it places the bonds near the sp2 carbons at 120o angles and the bonds near the sp carbon at 180o (linear). If you draw geometrical and stereoisomers, the Clean command standardizes their bond lengths and angles while retaining all of their structural signifi...
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This note was uploaded on 06/22/2010 for the course AS 1 taught by Professor Chem during the Spring '10 term at University of Alaska Southeast.
- Spring '10