N-[4-(4-Methylpiperazin-1-ylsulfonyl)phenyl]acetamide monohydrate
✍ Scribed by Guo, Ming-Lin
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 246 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, C 13 H 19 N 3 O 3 SÁH 2 O, is V-shaped and entraps a water molecule. In the crystal structure, NÐHÁ Á ÁO, OÐHÁ Á ÁO and OÐHÁ Á ÁN hydrogen bonds and van der Waals forces stabilize the packing of the molecules.
📜 SIMILAR VOLUMES
The title compound, C 45 H 60 N 8 , is a symmetric molecule with four chemically identical substituents bonded to a central C atom. In the crystal structure, the 4-phenylpiperazin-1-yl groups exhibit four different conformations, with no obvious pseudosymmetry.
The molecular structure of (I), showing 30% probability displacement ellipsoids.
Single-crystal X-ray study T = 294 K Mean '(C±C) = 0.004 A Ê R factor = 0.054 wR factor = 0.082 Data-to-parameter ratio = 19.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.004 A Ê R factor = 0.064 wR factor = 0.170 Data-to-parameter ratio = 13.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.