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Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (A?)

Table 3 Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (A?)

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Structural data: full structural data are available from iucrdata.iucr.org The title molecule, C;,H,;FNgO, comprises fluorophenyl (A), methyltriazolyl (B), methyltriazolyl (C) and tolyl (D) rings. The twist angles between the planes through neighbouring ring pairs A/B, B/C and C/D are 45.0 (1), 9.4 (1) and 43.2 (1)°, respectively. Intermolecular z—z interactions between rings A and C and between B and D propagate the structure in the [010] direction and weak C—H. --O interactions also occur.
Structural data: full structural data are available from iucrdata.iucr.org The title molecule, C;,H,;FNgO, comprises fluorophenyl (A), methyltriazolyl (B), methyltriazolyl (C) and tolyl (D) rings. The twist angles between the planes through neighbouring ring pairs A/B, B/C and C/D are 45.0 (1), 9.4 (1) and 43.2 (1)°, respectively. Intermolecular z—z interactions between rings A and C and between B and D propagate the structure in the [010] direction and weak C—H. --O interactions also occur.
Symmetry code: (i) x +4, —y +4, z.
Symmetry code: (i) x +4, —y +4, z.
A segment of the crystal structure showing intermolecular z-z contacts as green dotted lines and C—H.- - -O contacts in red. MHA thanks King Abdulaziz City for Science and Technology (KACST), Saudi Arabia, for financial support (award No. 020- 0180). Abdel-Wahab, B. F., Alotaibi, M. H. & EI-Hiti, G. A. (2017). Lett. Org. Chem. 14, 591-596.
A segment of the crystal structure showing intermolecular z-z contacts as green dotted lines and C—H.- - -O contacts in red. MHA thanks King Abdulaziz City for Science and Technology (KACST), Saudi Arabia, for financial support (award No. 020- 0180). Abdel-Wahab, B. F., Alotaibi, M. H. & EI-Hiti, G. A. (2017). Lett. Org. Chem. 14, 591-596.
Hydrogen-bond geometry (A, °).
Hydrogen-bond geometry (A, °).
An ORTEP representation of the asymmetric unit showing 50% probability ellipsoids.
An ORTEP representation of the asymmetric unit showing 50% probability ellipsoids.
Atomic displacement parameters (A’)
Atomic displacement parameters (A’)
Symmetry code: (i) x+1/2, —y+1/2, z.
Symmetry code: (i) x+1/2, —y+1/2, z.
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