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rac-5-Methoxy-3-phenyl-2,3-dihydro-1H-inden-1-one

✍ Scribed by Li, Zhe ;Xu, Jian-Hua ;Rosli, Mohd Mustaqim ;Fun, Hoong-Kun

Book ID
104491422
Publisher
International Union of Crystallography
Year
2007
Tongue
English
Weight
945 KB
Volume
63
Category
Article
ISSN
1600-5368

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✦ Synopsis

In the title compound, C 16 H 14 O 2 , the phenyl ring is twisted from the indan ring system with a dihedral angle of 81.53 (8) . The crystal structure is stabilized by intermolecular C-HÁ Á ÁO hydrogen bonds.

Related literature

For bond length data, see: Allen et al. (1987). For hydrogenbond motifs, see: Bernstein et al. (1995). For general background and related literature, see: Wang et al. (2005). Experimental Crystal data C 16 H 14 O 2 M r = 238.27 Monoclinic, P2 1 =c a = 8.3603 (4) A b = 6.4935 (3) A c = 23.1904 (11) A ˚ = 99.106 (2) V = 1243.09 (10) A ˚3 Z = 4 Mo K radiation = 0.08 mm À1 T = 100.0 (1) K 0.36 Â 0.19 Â 0.14 mm Data collection Bruker SMART APEXII CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2005) T min = 0.826, T max = 0.989 10552 measured reflections 2548 independent reflections 1867 reflections with I > 2(I) R int = 0.047 Refinement R[F 2 > 2(F 2 )] = 0.047 wR(F 2 ) = 0.125 S = 1.10 2548 reflections

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3-Methyl-1-phenyl-4,5-dihydro-1,2,4-tria
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✍ Jing, Heng ;Zhu, Hong-Jun ;Liu, Shan ;Zheng, Wei ;Wu, Ya-Ming 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 131 KB

In the molecule of the title compound, C 9 H 9 N 3 O, the dihedral angle between the planar rings is 7.49 (3) . In the crystal structure, intermolecular N-HÁ Á ÁO hydrogen bonds link the molecules into dimers, which may be effective in the stabilization of the crystal structure.