Crystallography Open Database

Information card for entry 7239646

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Coordinates	7239646.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H23 N3 O2
Calculated formula	C16 H23 N3 O2
Title of publication	Role of substituents on resonance assisted hydrogen bonding vs. intermolecular hydrogen bonding
Authors of publication	Gurbanov, Atash V.; Kuznetsov, Maxim L.; Demukhamedova, Svetlana D.; Alieva, Irada N.; Godjaev, Niftali M.; Zubkov, Fedor I.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	4
Pages of publication	628 - 633
a	7.3955 ± 0.0005 Å
b	9.6559 ± 0.0007 Å
c	22.6536 ± 0.0015 Å
α	90°
β	96.448 ± 0.002°
γ	90°
Cell volume	1607.47 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.074
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1354
Weighted residual factors for all reflections included in the refinement	0.1507
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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