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5-Bromo-3H-isobenzo­furan-1-one (5-bromo­phthalide)

✍ Scribed by Yathirajan, Hemmige S. ;Nagaraj, Basavegowda ;Gaonkar, Santhosh L. ;Narasegowda, Rajenahally S. ;Nagaraja, Padmarajaiah ;Bolte, Michael


Publisher
International Union of Crystallography
Year
2005
Tongue
English
Weight
330 KB
Volume
61
Category
Article
ISSN
1600-5368

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✦ Synopsis


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.


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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