Example 3 AOMD1AN This is the anionic part of a structure. The ion is Bu₂Sn(NCS)₄^2- and the Sn lies on an inversion centre.

A search for contacts around S3 shows a 3.413 interaction with S3 in another unit.

Distances from S3 ( 2,55501) to atoms 1 through 11
S3 ( 2,55501) 0.4831 0.9024 0.4508
C29 1 0.4636 0.7818 0.4646 11. .05 !( 6,55501) D = 1.586
N5  3 0.4421 0.6985 0.4753 11. .05 !( 4,55501) D = 2.729
S3  5 0.5169 1.0976 0.5492 11. .05 !( 2,67602) D = 3.413 H-B

To get this interaction drawn as a Type 2 H-Bond it is necessary to increase the default setting for this bond type under ORTEX Setup / Bond Setup to say 3.5 max

and then set the H-bond atom range to S3 only

To build the structure it is necessary to use both Extend with bonds (default)

select NO on dialog 36

and also Extend with H-bonds

Now answer YES to dialog 36 and the structure will build up

YES

YES etc.

If you need more units use Auto Extend again.

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