The title compound, C 8 H 5 BrO 2 , serves as a starting material for the synthesis of citalopram. It crystallizes with two almost identical molecules in the asymmetric unit.
5-Amino-3H-isobenzofuran-1-one (5-aminophthalide)
✍ Scribed by Yathirajan, Hemmige S. ;Nagaraj, Basavegowda ;Gaonkar, Santhosh L. ;Narasegowda, Rajenahally S. ;Prabhuswamy, Basappa ;Bolte, Michael
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 278 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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The crystal structure of the title compound, C~14~H~10~ClNO~3~, is stabilized by inversion-related O—H...O and C—H...O intermolecular hydrogen bonds and also by C—H...π and π–π interactions (centroid-to-centroid distance 3.681 Å and plane-to plane separation 3.618 Å). The O—H...O and C—H...O hydroge
Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.006 A Ê R factor = 0.060 wR factor = 0.156 Data-to-parameter ratio = 7.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C 15 H 10 FNO, crystallizes with two molecules in the asymmetric unit, which differ only in the orientation of the ¯uorophenyl ring with respect to the isobenzofuran system.
## Abstract Acylation of 5‐amino‐3__H__‐1,3,4‐thiadiazolin‐2‐one (2) was undertaken selectively at either the 3‐NH position or at 5‐amino group depending on reaction conditions. The 3‐NH is highly acidic and acylation takes place with acid anhydrides at this position in high yields in the presence