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3-(Benzotriazol-2-yl)-1-(biphenyl-4-yl)propan-1-one

✍ Scribed by Cheng, Kun ;Zhang, Hui-Qing ;Tian, Na-Na ;Wan, Jun

Publisher
International Union of Crystallography
Year
2007
Tongue
English
Weight
702 KB
Volume
63
Category
Article
ISSN
1600-5368

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✦ Synopsis

In the molecule of the title compound, C 21 H 17 N 3 O, the nearly planar benzotriazole ring system is oriented with respect to the planar rings C (benzoyl) and D (terminal phenyl) at dihedral angles of 58.52 (1) and 77.16 (1) , respectively. In the crystal structure, intermolecular C-HÁ Á ÁN hydrogen bonds link the molecules into centrosymmetric dimers.

Related literature

For general background, see: Allen et al. (1987). For related literature, see: Wang et al. (2005).

Experimental Crystal data C 21 H 17 N 3 O M r = 327.38 Monoclinic, P2 1 =c a = 13.313 (3) A ˚b = 10.661 (3) A c = 13.629 (3) A = 116.739 (4) V = 1727.5 (7) A ˚3 Z = 4 Mo K radiation = 0.08 mm À1 T = 294 (2) K 0.43 Â 0.13 Â 0.06 mm Data collection Siemens SMART 1000 CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.967, T max = 0.995 9149 measured reflections 3259 independent reflections 2061 reflections with I > 2(I) R int = 0.032 Refinement R[F 2 > 2(F 2 )] = 0.053 wR(F 2 ) = 0.125 S = 1.06 3259 reflections

📜 SIMILAR VOLUMES

3-(1H-Benzotriazol-1-yl)-1-(4-ethylpheny
3-(1H-Benzotriazol-1-yl)-1-(4-ethylphenyl)propan-1-one
✍ Zeng, Wu-Lan 📂 Article 📅 2007 🏛 International Union of Crystallography 🌐 English ⚖ 1010 KB

In the molecule of the title compound, C 17 H 17 N 3 O, the dihedral angle between the benzotriazole fused ring system and the other benzene ring is 70.50 (6) . The crystal structure is stabilized by C-HÁ Á ÁO interactions and van der Waals interactions. ## Related literature 1H-Benzotriazole der

3-(1H-Benzotriazol-1-yl)-1-(2-fluoro­phe
3-(1H-Benzotriazol-1-yl)-1-(2-fluoro­phen­yl)propan-1-one
✍ Zeng, Wu-Lan ;Bi, Sai ;Zhang, Fan ;Wan, Jun 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 173 KB

In the title compound, C 15 H 12 FN 3 O, an intramolecular C-HÁ Á ÁF hydrogen bond forms a six-membered ring. Molecules are linked into a tape along the b axis by an intermolecular C-HÁ Á ÁN hydrogen bond. The crystal packing is further stabilized by C-HÁ Á Á andinteractions.

3-(1H-1,2,3-Benzotriazol-1-yl)-1-(4-meth
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✍ Zhang, Shu-Sheng ;Wan, Jun ;Li, Ying ;Li, Xue-Mei ;Xu, Hong ;Ouyang, Ping-Kai 📂 Article 📅 2005 🏛 International Union of Crystallography 🌐 English ⚖ 206 KB

View of (I), showing 50% probability displacement ellipsoids and the atom-labelling scheme.