Subject: Re: Aminothiazole x-ray data

From: Stefan Seidler <[email-masked]>
Date: Thu, 14 Dec 2000 13:59:48 +0100 (MET)

> Could any one give me or point me to a reference/database (free)
> where I can find the x-ray data for aminothiazole or 2-aminothiazole. 

Small molecule x-ray structures can be found in the CSD (Cambridge 
Structural Database, http://www.ccdc.cam.ac.uk/prods/csd/csd.html), but 
its not free.

The entry for 2-aminothiazol is named BAWKEP1001. I have attached the 
coordinates in MDL molfile format.

Regards,
   Stefan

mailto:[email-masked]

BAWKEP1001
  -MTS-   12141001338   0   0.00000     0.00000     0

 10 10  0  0  0  0  0  0  0  0  1 V2000
    3.7830    2.9780   10.1080 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2610    4.2060    8.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4560    4.6810    9.1430 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0360    4.0680   10.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3160    3.1520   10.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4190    4.5870    8.0100 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9490    4.2880   10.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250    2.6480   11.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5900    5.1430    7.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6760    4.2470    7.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  7  4  1  0  0  0  0
  4  5  2  0  0  0  0
  8  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
>  <EXTREG>  (BAWKEP1001)
BAWKEP1001

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